SCHEMBL12427995

SCHEMBL12427995

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 9/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 3/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 2/20 0.39
RAB9A P51151 1/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
VCAM1 P19320 1/20 0.38
CACNA1C Q13936 2/20 0.38
CACNA1F O60840 1/20 0.38
CACNA1D Q01668 1/20 0.38
CACNA1S Q13698 1/20 0.38
THRB P10828 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL28768690 0.84 ALDH1A1 (0.47) L3MBTL1ALDH1A1MEN1KMT2AMAPT
SCHEMBL12450698 0.79 KMT2A (0.44) L3MBTL1ALDH1A1MEN1KMT2AMAPT
SCHEMBL27769162 0.76 L3MBTL1 (0.47) L3MBTL1ALDH1A1MAPTGAARAB9A
SCHEMBL29444506 0.76 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL19210852 0.76 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL12143419 0.76 ALDH1A1 (0.45) L3MBTL1ALDH1A1MEN1KMT2AMAPT
SCHEMBL7874865 0.75 SMN1; SMN2 (0.39) L3MBTL1ALDH1A1MEN1KMT2AMAPT
SCHEMBL28082086 0.74 MAPT (0.48) L3MBTL1ALDH1A1MEN1KMT2AMAPT
SCHEMBL28082085 0.74 MAPT (0.48) L3MBTL1ALDH1A1MEN1KMT2AMAPT
SCHEMBL13150211 0.74 L3MBTL1 (0.49) L3MBTL1ALDH1A1MEN1KMT2AMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7982035-B2 Tricyclic compounds having antimitotic and/or antitumor activity and methods of use thereof DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2011-07-19 US disclosed
US-20090082374-A1 TRICYCLIC COMPOUNDS HAVING ANTIMITOTIC AND/OR ANTITUMOR ACTIVITY AND METHODS OF USE THEREOF DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 2009-03-26 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 (1 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-20090082374-A1 TRICYCLIC COMPOUNDS HAVING ANTIMITOTIC AND/OR ANTITUMOR ACTIVITY AND METHODS OF USE THEREOF ABCG2, ABCC1, ABCB1 L3MBTL1 2173/4885ALDH1A1 1890/4885MEN1 2363/4885

“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.