SCHEMBL12145185

SCHEMBL12145185

N#Cc1ccc(N=O)cc1Br

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 4/20 0.34
▸ MAOA P21397 3/20 0.34
▸ BLM P54132 2/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ TTR P02766 1/20 0.33
▸ ALB P02768 1/20 0.33
▸ CXCR1 P25024 2/20 0.33
▸ CXCR2 P25025 2/20 0.33
▸ GPR35 Q9HC97 2/20 0.32
▸ KCNJ1 P48048 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ ABCG2 Q9UNQ0 1/20 0.31
▸ GRM4 Q14833 1/20 0.31
▸ LMNA P02545 2/20 0.31
▸ GMNN O75496 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31

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
SCHEMBL92582 0.81 MAOB (0.45) MAOBMAOAALDH1A1TRPV4
SCHEMBL21159847 0.78 MAOB (0.34) MAOBMAOABLMMEN1KMT2A
SCHEMBL8739027 0.76 TRPV4 (0.52) TRPV4
SCHEMBL13448744 0.76 KDM4E (0.35) MAOBMAOABLMMEN1KMT2A
SCHEMBL13482633 0.76 MAOB (0.41) MAOBMAOAMEN1KMT2AALDH1A1
SCHEMBL13482623 0.76 GRM4 (0.34) MAOBMAOABLMMEN1KMT2A
SCHEMBL28209807 0.73 ALDH1A1 (0.36) BLMMEN1KMT2ALMNAGMNN
SCHEMBL17553817 0.73 AR (0.35) MAOBMAOAMEN1KMT2AALDH1A1
SCHEMBL13078288 0.73 ADRB2 (0.38) MAPT
SCHEMBL2619431 0.72 VCAM1 (0.49) BLMGRM4MAPK1TDP1TRPV4

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-8067582-B2 Fused heterocyclic compounds useful as modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2011-11-29 — — US disclosed
US-20100331324-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL-MYERS SQIOBB COMPANY 2010-12-30 — — 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-20100331324-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION NR5A1, AR, ESRRA MAOB 2701/4885MAOA 2822/4885BLM 3054/4885

“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.

Send feedback