SCHEMBL7920069

SCHEMBL7920069

Brc1ccc2[nH]c(-c3nc(C4CC4)no3)cc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.44
HTR1A P08908 1/20 0.43
HTR2C P28335 1/20 0.43
POLB P06746 1/20 0.42
CASP3 P42574 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
USP7 Q93009 2/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
USP30 Q70CQ3 1/20 0.39
CA12 O43570 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL1429558 0.81 KDM4E (0.48) HTR1AHTR2CPOLBCA1CA2
SCHEMBL1314203 0.78 CYP19A1 (0.49) CYP19A1
SCHEMBL17148992 0.73 POLB (0.60) HTR1AHTR2CPOLBCASP3SENP7
SCHEMBL3375563 0.72 MMP13 (0.53)
SCHEMBL17422783 0.71 CYP19A1 (0.71) CYP19A1IDO1
SCHEMBL17148989 0.70 CNR2 (0.47) HTR1AHTR2CPOLBCASP3SENP7
SCHEMBL15021237 0.69 CYP19A1 (0.48) CYP19A1POLBIDO1
Hydrochloric Acid SCHEMBL1971503 0.69 POLB (0.42) HTR2CPOLBCASP3SENP7SENP6
SCHEMBL17433444 0.65 CYP19A1 (0.62) CYP19A1IDO1
SCHEMBL17422937 0.64 CYP19A1 (0.71) CYP19A1CASP3SENP7SENP6NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785489-B2 Heteroaryl substituted indole compounds useful as MMP-13 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-22 US disclosed
US-20110275631-A1 Heteroaryl Substituted Indole Compounds Useful as MMP-13 Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-10 US disclosed
WO-2010045188-A1 HETEROARYL SUBSTITUTED INDOLE COMPOUNDS USEFUL AS MMP-13 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-22 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-20110275631-A1 Heteroaryl Substituted Indole Compounds Useful as MMP-13 Inhibitors MMP13, MMP3, MMP11 CYP19A1 244/4885HTR1A 416/4885HTR2C 468/4885

“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.