SCHEMBL306986

SCHEMBL306986

N#Cc1ccc(NC(=O)CCc2cccc([N+](=O)[O-])c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.65
ALDH1A1 P00352 6/20 0.63
MEN1 O00255 7/20 0.55
KMT2A Q03164 7/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
LMNA P02545 3/20 0.48
MAPT P10636 2/20 0.47
POLB P06746 1/20 0.47
FFAR1 O14842 1/20 0.47
GAA P10253 1/20 0.47
THRA P10827 1/20 0.46

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
SCHEMBL4628604 0.83 ALDH1A1 (0.77) TRPV1ALDH1A1MEN1KMT2ANPC1
SCHEMBL307284 0.81 POLB (0.51) ALDH1A1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL1072370 0.80 ALDH1A1 (0.79) TRPV1ALDH1A1MEN1KMT2ANPC1
SCHEMBL1072365 0.80 ALDH1A1 (0.79) TRPV1ALDH1A1MEN1KMT2ANPC1
SCHEMBL3610750 0.79 MEN1 (0.51) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL31125132 0.78 MEN1 (0.73) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL27546672 0.78 ALDH1A1 (0.76) TRPV1ALDH1A1MEN1KMT2ANPC1
SCHEMBL23322893 0.77 MEN1 (0.59) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL4016784 0.76 ALDH1A1 (0.73) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL16198343 0.75 ALDH1A1 (0.56) ALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114869-B1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2014-07-23 EP disclosed
US-8093266-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-10 US disclosed
US-8093266-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-10 US disclosed
US-8093266-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-10 US disclosed
US-20100041645-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-18 US disclosed
US-20100041645-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-18 US disclosed
US-20100041645-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-18 US disclosed
WO-2008086047-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-17 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 (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-20100041645-A1 RHO KINASE INHIBITORS CIT, ROCK1, RHOT2 TRPV1 4434/4885ALDH1A1 3661/4885MEN1 1736/4885

“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.