SCHEMBL12450698

SCHEMBL12450698

CCOC(=O)C(C#N)c1c(Cl)cccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
GAA P10253 3/20 0.44
MEN1 O00255 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 10/20 0.41
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
BRAF P15056 1/20 0.39
KDM4E B2RXH2 1/20 0.38
RAB9A P51151 1/20 0.38
POLB P06746 1/20 0.38
VCAM1 P19320 1/20 0.38
CACNA1F O60840 1/20 0.37
CACNA1D Q01668 1/20 0.37
CACNA1S Q13698 1/20 0.37
CACNA1C Q13936 1/20 0.37
THRB P10828 1/20 0.37
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12391894 0.83 ALDH1A1 (0.43) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL28768690 0.83 ALDH1A1 (0.47) KMT2AGAAMEN1SMN1; SMN2L3MBTL1
SCHEMBL19777750 0.80 NPC1 (0.43) KMT2AGAAMEN1SMN1; SMN2L3MBTL1
SCHEMBL7677183 0.80 ALDH1A1 (0.56) KMT2AGAAMEN1SMN1; SMN2L3MBTL1
SCHEMBL12427995 0.79 L3MBTL1 (0.42) KMT2AGAAMEN1SMN1; SMN2L3MBTL1
SCHEMBL12144349 0.77 CYP1A2 (0.37) KMT2AGAAMEN1L3MBTL1ALDH1A1
SCHEMBL7874865 0.76 SMN1; SMN2 (0.39) KMT2AGAAMEN1SMN1; SMN2L3MBTL1
SCHEMBL6685160 0.76 ALDH1A1 (0.60) KMT2AGAAMEN1SMN1; SMN2L3MBTL1
SCHEMBL4093917 0.76 VCAM1 (0.45) KMT2AGAAMEN1SMN1; SMN2L3MBTL1
SCHEMBL29444506 0.75 ALDH1A1 (0.60) KMT2AMEN1SMN1; SMN2ALDH1A1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12006294-B2 Therapeutic compounds REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2024-06-11 US disclosed
US-20190330157-A1 THERAPEUTIC COMPOUNDS REGENTS OF THE UNIVERSITY OF MINNESOTA 2019-10-31 US disclosed
US-20190330157-A1 THERAPEUTIC COMPOUNDS REGENTS OF THE UNIVERSITY OF MINNESOTA 2019-10-31 US disclosed
US-9802955-B2 Tricyclic compounds having antimitotic and/or antitumor activity and methods of use thereof DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2017-10-31 US disclosed
US-20170246170-A1 Tricyclic Compounds Having Antimitotic and/or Antitumor Activity and Methods of Use Thereof DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 2017-08-31 US disclosed
US-9556198-B2 Tricyclic compounds having antimitotic and/or antitumor activity and methods of use thereof DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2017-01-31 US disclosed
US-20170022217-A1 Tricyclic Compounds Having Antimitotic and/or Antitumor Activity and Methods of Use Thereof DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 2017-01-26 US disclosed
US-20160355520-A1 Tricyclic Compounds Having Cytostatic and/or Cytotoxic Activity and Methods of Use Thereof DUQUESNE UNIVERSITY OF THE HOLY GHOST 2016-12-08 US disclosed
US-9458167-B2 Tricyclic compounds having antimitotic and/or antitumor activity and methods of use thereof DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2016-10-04 US disclosed
US-20150252053-A1 Tricyclic Compounds Having Antimitotic and/or Antitumor Activity and Methods of Use Thereof DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 2015-09-10 US disclosed
US-9056869-B2 Tricyclic compounds having antimitotic and/or antitumor activity and methods of use thereof DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2015-06-16 US disclosed
US-9045489-B2 Tricyclic compounds having antimitotic and/or antitumor activity and methods of use thereof DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2015-06-02 US disclosed
US-8871776-B2 Tricyclic compounds having cytostatic and/or cytotoxic activity and methods of use thereof DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 2014-10-28 US disclosed
US-20130102623-A1 Tricyclic Compounds Having Cytostatic and/or Cytotoxic Activity and Methods of Use Thereof DUQUESNE UNIVERSITY OF THE HOLY GHOST 2013-04-25 US disclosed
US-20130096146-A1 Tricyclic Compounds Having Antimitotic and/or Antitumor Activity and Methods of Use Thereof DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 2013-04-18 US disclosed
US-8314114-B2 Tricyclic compounds having cytostatic and/or cytoxic activity and methods of use thereof DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 2012-11-20 US disclosed
US-20110295002-A1 TRICYCLIC COMPOUNDS HAVING ANTIMITOTIC AND/OR ANTITUMOR ACTIVITY AND METHODS OF USE THEREOF DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 2011-12-01 US disclosed
US-20110207757-A1 Tricyclic Compounds Having Cytostatic and/or Cytoxic Activity and Methods of Use Thereof DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 2011-08-25 US disclosed
US-7960400-B2 Tricyclic compounds having cytostatic and/or cytotoxic activity and methods of use thereof DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 2011-06-14 US disclosed
US-20090062318-A1 TRICYCLIC COMPOUNDS HAVING CYTOSTATIC AND/OR CYTOTOXIC ACTIVITY AND METHODS OF USE THEREOF DUQUESNE UNIVERSITY OF THE HOLY GHOST 2009-03-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190330157-A1 THERAPEUTIC COMPOUNDS OPRL1, INA, OGFR KMT2A 3083/4885GAA 2851/4885MEN1 4058/4885
US-20090062318-A1 TRICYCLIC COMPOUNDS HAVING CYTOSTATIC AND/OR CYTOTOXIC ACTIVITY AND METHODS OF USE THEREOF DHFR, TK1, TYMS KMT2A 2704/4885GAA 239/4885MEN1 3845/4885
US-20150252053-A1 Tricyclic Compounds Having Antimitotic and/or Antitumor Activity and Methods of Use Thereof ABCG2, ABCC1, ABCB1 KMT2A 3240/4885GAA 276/4885MEN1 2363/4885
US-20130096146-A1 Tricyclic Compounds Having Antimitotic and/or Antitumor Activity and Methods of Use Thereof ABCG2, ABCC1, ABCB1 KMT2A 3240/4885GAA 276/4885MEN1 2363/4885
US-20170022217-A1 Tricyclic Compounds Having Antimitotic and/or Antitumor Activity and Methods of Use Thereof ABCG2, ABCC1, ABCB1 KMT2A 3240/4885GAA 276/4885MEN1 2363/4885
US-12006294-B2 Therapeutic compounds OPRL1, INA, OGFR KMT2A 3083/4885GAA 2851/4885MEN1 4058/4885
US-20160355520-A1 Tricyclic Compounds Having Cytostatic and/or Cytotoxic Activity and Methods of Use Thereof DHFR, TK1, TYMS KMT2A 2704/4885GAA 239/4885MEN1 3845/4885
US-20130102623-A1 Tricyclic Compounds Having Cytostatic and/or Cytotoxic Activity and Methods of Use Thereof DHFR, TK1, TYMS KMT2A 2704/4885GAA 239/4885MEN1 3845/4885
US-20110295002-A1 TRICYCLIC COMPOUNDS HAVING ANTIMITOTIC AND/OR ANTITUMOR ACTIVITY AND METHODS OF USE THEREOF ABCG2, ABCC1, ABCB1 KMT2A 3240/4885GAA 276/4885MEN1 2363/4885
US-20170246170-A1 Tricyclic Compounds Having Antimitotic and/or Antitumor Activity and Methods of Use Thereof ABCC1, ABCG2, TP53 KMT2A 3243/4885GAA 373/4885MEN1 2228/4885
US-20110207757-A1 Tricyclic Compounds Having Cytostatic and/or Cytoxic Activity and Methods of Use Thereof DHFR, TK1, TK2 KMT2A 3111/4885GAA 228/4885MEN1 4135/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.