SCHEMBL206176

SCHEMBL206176

COC(=O)c1cccc(NC(=O)c2ccc(-c3ccccn3)cc2)c1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.52
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
TSHR P16473 1/20 0.51
CYP2C19 P33261 1/20 0.51
MEN1 O00255 1/20 0.51
LMNA P02545 1/20 0.51
POLB P06746 1/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
KMT2A Q03164 1/20 0.51
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
MAPK14 Q16539 1/20 0.48
SMO Q99835 1/20 0.48
APOBEC3A P31941 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
HPGD P15428 1/20 0.46
MAPK10 P53779 1/20 0.46
ALDH1A1 P00352 2/20 0.46

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
SCHEMBL206378 0.91 MEN1 (0.54) TSHRMEN1LMNAPOLBGAA
SCHEMBL505555 0.84 NPC1 (0.61) TRPV1CYP1A2CYP2D6TSHRCYP2C19
SCHEMBL204987 0.84 AXL (0.45) CYP1A2CYP2D6TSHRCYP2C19MEN1
SCHEMBL9129050 0.84 TSHR (0.61) CYP1A2CYP2D6TSHRCYP2C19MEN1
SCHEMBL207099 0.83 TSHR (0.52) CYP1A2CYP2D6TSHRCYP2C19MEN1
SCHEMBL204144 0.80 HSD17B10 (0.54) CYP1A2CYP2D6TSHRCYP2C19MEN1
SCHEMBL14082213 0.80 MAPT (0.61) TRPV1MEN1LMNAMAPTKMT2A
SCHEMBL204780 0.80 MKNK1 (0.54) CYP1A2CYP2D6TSHRCYP2C19LMNA
SCHEMBL14082204 0.79 TRPV1 (0.59) TRPV1MEN1KMT2ANPC1RAB9A
SCHEMBL204732 0.77 KDM4E (0.65) TSHRLMNAPOLBMAPTKMT2A

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-8088760-B2 Benzoxazole carboxamide inhibitors of poly(ADP-ribose)polymerase (PARP) BIOMARIN PHARMACEUTICAL INC. (US) 2012-01-03 US disclosed
EP-2247600-A2 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) Lead Therapeutics, Inc. (US) 2010-11-10 EP disclosed
WO-2009099736-A2 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-08-13 WO disclosed
US-20090197863-A1 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-08-06 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-20090197863-A1 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) PARP1, PARP2, PARP11 TRPV1 3922/4885CYP1A2 577/4885CYP2D6 1379/4885

“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.