SCHEMBL3367567

SCHEMBL3367567

O=C(O)Cn1ccc(Br)n1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.46
EPHX2 P34913 1/20 0.44
HTT P42858 2/20 0.39
GAA P10253 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 2/20 0.35
CSNK2A2 P19784 1/20 0.35
CSNK2A1 P68400 1/20 0.35
ALDH1A1 P00352 1/20 0.34
AKR1B1 P15121 1/20 0.33
HSD17B10 Q99714 1/20 0.33
APEX1 P27695 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL1795674 0.76 KDM4C (0.46) KDM4CEPHX2HTTGAAKMT2A
SCHEMBL19992733 0.76 KDM4C (0.46) KDM4CEPHX2HTTGAAKMT2A
SCHEMBL31373301 0.76 KDM4C (0.58) KDM4CEPHX2HTTGAASMN1; SMN2
SCHEMBL31373302 0.76 KDM4C (0.58) KDM4CEPHX2HTTGAASMN1; SMN2
SCHEMBL604399 0.76 GAA (0.54) KDM4CHTTGAALMNAALDH1A1
SCHEMBL2513425 0.75
Hydrochloric Acid SCHEMBL3293207 0.74 KDM4C (0.45) KDM4CEPHX2HTTGAAKMT2A
SCHEMBL21082956 0.74 KDM4E (0.40) SMN1; SMN2KMT2ALMNAALDH1A1KDM4E
SCHEMBL25097166 0.73 KDM4C (0.59) KDM4CHTTGAASMN1; SMN2KMT2A
SCHEMBL13361497 0.73 KDM4C (0.48) KDM4CEPHX2HTTGAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317645-A1 SUBSTITUTED DIAZEPINE SULFONAMIDES AS BOMBESIN RECEPTOR SUBTYPE-1 MODULATORS MERCK SHARP & DOHME LLC 2010-12-16 US disclosed
EP-2102201-B1 SUBSTITUTED DIAZEPINE SULFONAMIDES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS MERCK SHARP & DOHME (US) 2010-10-13 EP disclosed
EP-2102201-A2 SUBSTITUTED DIAZEPINE SULFONAMIDES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS Merck & Co., Inc. (US) 2009-09-23 EP disclosed
WO-2008073311-A2 SUBSTITUTED DIAZEPINE SULFONAMIDES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS MERCK & CO., INC. (US) 2008-06-19 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-20100317645-A1 SUBSTITUTED DIAZEPINE SULFONAMIDES AS BOMBESIN RECEPTOR SUBTYPE-1 MODULATORS BRS3, BRSK1, BRSK2 KDM4C 4243/4885EPHX2 3884/4885HTT 3282/4885

“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.