SCHEMBL1318282

SCHEMBL1318282

Cc1cccc(C(=O)NCc2cccc(-c3ccco3)c2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.64
ADORA2A P29274 2/20 0.58
ADORA1 P30542 2/20 0.58
PRMT6 Q96LA8 1/20 0.56
CHRM3 P20309 1/20 0.56
ADORA3 P0DMS8 1/20 0.55
ADORA2B P29275 1/20 0.55
ALDH1A1 P00352 2/20 0.52
HPGD P15428 2/20 0.52
KCNK3 O14649 1/20 0.52
KCNK9 Q9NPC2 1/20 0.52
WDR5 P61964 1/20 0.52
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
LMNA P02545 2/20 0.51
LCLAT1 Q6UWP7 1/20 0.51
KMT2A Q03164 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL1317763 0.89 TDP1 (0.59) POLBADORA2AADORA1PRMT6ADORA3
SCHEMBL1316394 0.87 KMT2A (0.61) POLBADORA2AADORA1PRMT6ADORA3
SCHEMBL1317689 0.85 CHRM3 (0.58) POLBADORA2AADORA1PRMT6CHRM3
SCHEMBL1319516 0.85 MMP13 (0.66) ADORA2AADORA1PRMT6CHRM3ADORA3
SCHEMBL1317667 0.85 PRMT6 (0.53) POLBADORA2AADORA1PRMT6ADORA3
SCHEMBL1319551 0.83 POLB (0.66) POLBPRMT6CHRM3ALDH1A1HPGD
SCHEMBL1317150 0.83 CHRM3 (0.59) POLBPRMT6CHRM3ALDH1A1HPGD
SCHEMBL29936927 0.82 CA1 (0.66) POLBCHRM3ALDH1A1HPGDCA1
SCHEMBL1317036 0.81 PRMT6 (0.54) POLBADORA2AADORA1PRMT6CHRM3
SCHEMBL1316360 0.81 NPC1 (0.58) ADORA2AADORA1PRMT6CHRM3ADORA3

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-8637550-B2 Heteroaryl diamide compounds useful as MMP-13 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-28 US disclosed
US-20110275625-A1 Heteroaryl Diamide Compounds Useful as MMP-13 Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-10 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-20110275625-A1 Heteroaryl Diamide Compounds Useful as MMP-13 Inhibitors MMP13, MMP3, MMP11 POLB 977/4885ADORA2A 3050/4885ADORA1 4125/4885

“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.