SCHEMBL2494960

SCHEMBL2494960

NNC(=O)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.59
ALDH1A1 P00352 6/20 0.59
MEN1 O00255 5/20 0.59
MAPT P10636 4/20 0.59
HTT P42858 1/20 0.59
MAPK8 P45983 1/20 0.56
LMNA P02545 1/20 0.53
LOXL2 Q9Y4K0 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C19 P33261 1/20 0.53
L3MBTL1 Q9Y468 3/20 0.52
GLA P06280 1/20 0.52
GAA P10253 1/20 0.52
KDM4E B2RXH2 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
POLB P06746 1/20 0.51

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
SCHEMBL5603398 0.84 KMT2A (0.60) KMT2AALDH1A1MEN1MAPTHTT
SCHEMBL2790377 0.83 TSHR (0.56) KMT2AALDH1A1MEN1MAPTLMNA
SCHEMBL11796135 0.82 AOC2 (0.66) KMT2AMEN1HTTCYP1A2GAA
SCHEMBL990297 0.82 ALDH1A1 (0.60) KMT2AALDH1A1MEN1MAPTHTT
SCHEMBL4167897 0.80 KMT2A (0.54) KMT2AALDH1A1MEN1MAPTHTT
SCHEMBL1821575 0.80 ALDH1A1 (0.61) KMT2AALDH1A1MEN1MAPTHTT
SCHEMBL8770332 0.80 TSHR (0.53) KMT2AALDH1A1MEN1MAPTHTT
SCHEMBL6048516 0.80 KMT2A (0.58) KMT2AALDH1A1MEN1MAPTHTT
SCHEMBL2673969 0.79 LOXL2 (0.59) KMT2AALDH1A1MEN1MAPTHTT
SCHEMBL5067751 0.79 ALDH1A1 (0.57) KMT2AALDH1A1MEN1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116655536-A Class N 1 -aryl-3-fluoroalkyl-5-fluoropyrazole compound, and preparation method and application thereof 天津大学 2023-08-29 CN disclosed
EP-1966214-B9 TRIAZOLOPYRIDAZINES AS TYROSINE KINASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2017-09-13 EP disclosed
EP-1966214-B9 TRIAZOLOPYRIDAZINES AS TYROSINE KINASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2017-09-13 EP disclosed
EP-1966214-B1 TRIAZOLOPYRIDAZINES AS TYROSINE KINASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-11-02 EP disclosed
EP-1966214-B1 TRIAZOLOPYRIDAZINES AS TYROSINE KINASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-11-02 EP disclosed
US-8173654-B2 Triazolopyridazine compounds JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-08 US disclosed
US-8173654-B2 Triazolopyridazine compounds JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-08 US disclosed
US-8030305-B2 Triazolopyridazines as kinase modulators JANSSEN PHARMACEUTICA N.V. (BE) 2011-10-04 US disclosed
US-8030305-B2 Triazolopyridazines as kinase modulators JANSSEN PHARMACEUTICA N.V. (BE) 2011-10-04 US disclosed
US-20100056507-A1 PHENYL DERIVATIVES AND THEIR USE AS A MEDICAMENT IPSEN PHARMA S.A.S. (FR) 2010-03-04 US disclosed
CN-1474820-A Benzodiazepine derivatives as GABA A receptor modulators - 2004-02-11 CN disclosed
EP-1337535-A2 BENZODIAZEPINE DERIVATIVES AS GABA A RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2003-08-27 EP disclosed
EP-0749433-B1 (4,4-DIFLUOROBUT-3-ENYLTHIO)-SUBSTITUTED HETEROCYCLIC OR CARBOCYCLIC RING COMPOUNDS HAVING PESTICIDAL ACTIVITY SYNGENTA LTD (GB) 2003-05-07 EP disclosed
US-20020103371-A1 Substituted imidazo [1,5-a] [1,2,4] triazolo [4,3-d] [1,4] benzodiazepine derivatives HOFFMANN-LA ROCHE INC. 2002-08-01 US disclosed
WO-2002040487-A2 BENZODIAZEPINE DERIVATIVES AS GABA A RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2002-05-23 WO disclosed
US-5952359-A NEMATICIDES, INSECTICIDES AND MITICIDES; 1,1-DIFLUORO-3-(THIAZOLYL OR ISOTHIAZOYL-THIO (OR SULFINYL OR SULFONYL)-PROP-1-ENE DERIVATIVES ZENECA LIMITED (GB) 1999-09-14 US disclosed
US-5912243-A NOVEL COMPOUNDS FOR CONTROLLING NEMATODES, INSECT OR ACARID PESTS ZENECA LIMITED (GB) 1999-06-15 US disclosed
US-5705516-A NEMATOCIDES, INSECTICIDES, ACARICIDES ZENECA LIMITED (GB) 1998-01-06 US disclosed
EP-0749433-A1 (4,4-DIFLUOROBUT-3-ENYLTHIO)-SUBSTITUTED HETEROCYCLIC OR CARBOCYCLIC RING COMPOUNDS HAVING PESTICIDAL ACTIVITY ZENECA LIMITED (GB) 1996-12-27 EP disclosed
WO-1995024403-A1 (4,4-DIFLUOROBUT-3-ENYLTHIO)-SUBSTITUTED HETEROCYCLIC OR CARBOCYCLIC RING COMPOUNDS HAVING PESTICIDAL ACTIVITY ZENECA LIMITED (GB) 1995-09-14 WO 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 (2 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-20020103371-A1 Substituted imidazo [1,5-a] [1,2,4] triazolo [4,3-d] [1,4] benzodiazepine derivatives GABRA5, GABRA1, GABRA4 KMT2A 1267/4885ALDH1A1 278/4885MEN1 3485/4885
US-20100056507-A1 PHENYL DERIVATIVES AND THEIR USE AS A MEDICAMENT CNR2, CNR1, TRPV1 KMT2A 2065/4885ALDH1A1 2439/4885MEN1 4664/4885

“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.