SCHEMBL1736051

SCHEMBL1736051

O=[N+]([O-])c1ccc(-c2nc3cc(Cl)ccc3o2)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.48
CASP3 P42574 3/20 0.48
SENP7 Q9BQF6 3/20 0.48
SENP6 Q9GZR1 2/20 0.48
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.46
LMNA P02545 2/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
NPC1 O15118 6/20 0.44
RAB9A P51151 6/20 0.44
TP53 P04637 2/20 0.44
SENP8 Q96LD8 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CETP P11597 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL12713533 0.81 MMP2 (0.56) SMN1; SMN2KDM4EALDH1A1HPGDLMNA
SCHEMBL221531 0.78 CYP2A6 (0.51) SMN1; SMN2KDM4EALDH1A1NPC1RAB9A
SCHEMBL7058514 0.77 RAB9A (0.66) SMN1; SMN2ALDH1A1NPC1RAB9AMAPT
SCHEMBL3043863 0.75 NPC1 (0.61) SMN1; SMN2CASP3SENP7SENP6KDM4E
SCHEMBL221529 0.75 CYP2A6 (0.51) SMN1; SMN2ALDH1A1LMNANPC1RAB9A
SCHEMBL1736089 0.74 MGAM (0.43) SMN1; SMN2CASP3SENP7SENP6KDM4E
SCHEMBL11714751 0.73 RAB9A (0.60) SMN1; SMN2ALDH1A1NPC1RAB9ACETP
SCHEMBL4505279 0.72 MAPT (0.58) SMN1; SMN2CASP3SENP7SENP6KDM4E
SCHEMBL4512191 0.72 RAB9A (0.67) SMN1; SMN2CASP3SENP7SENP6KDM4E
SCHEMBL5834599 0.71 RAB9A (0.54) SMN1; SMN2CASP3SENP7SENP6KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1954287-B2 CETP INHIBITORS MERCK SHARP & DOHME (US) 2016-02-24 EP disclosed
US-8334290-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2012-12-18 US disclosed
EP-1954287-B1 CETP INHIBITORS MERCK SHARP & DOHME (US) 2011-11-16 EP disclosed
US-20110262658-A1 PROCESS AND DEVICE FOR TREATING THE COATING OF THERMOPLASTIC RESIN CONTAINERS ZOPPAS MATTEO 2011-10-27 US disclosed
US-20090264405-A1 Cetp Inhibitors MERCK SHARP & DOHME LLC 2009-10-22 US disclosed
EP-1954287-A2 CETP INHIBITORS Merck & Co., Inc. (US) 2008-08-13 EP disclosed
WO-2007070173-A2 CETP INHIBITORS MERCK & CO., INC. (US) 2007-06-21 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-20090264405-A1 Cetp Inhibitors CETP, APOB, PCSK9 SMN1; SMN2 4780/4885CASP3 2727/4885SENP7 280/4885

“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.