SCHEMBL204144

SCHEMBL204144

COC(=O)c1cccc(NC(=O)c2ccncc2)c1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.54
MAPK1 P28482 2/20 0.54
MAPK10 P53779 2/20 0.54
TSHR P16473 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C19 P33261 1/20 0.53
KMT2A Q03164 4/20 0.52
TP53 P04637 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
APOBEC3A P31941 1/20 0.52
APOBEC3G Q9HC16 1/20 0.52
POLB P06746 4/20 0.52
RAB9A P51151 2/20 0.52
MEN1 O00255 2/20 0.52
NPC1 O15118 1/20 0.52
ALDH1A1 P00352 2/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL207099 0.92 TSHR (0.52) HSD17B10MAPK1MAPK10TSHRCYP1A2
SCHEMBL9129050 0.87 TSHR (0.61) HSD17B10MAPK1MAPK10TSHRCYP1A2
SCHEMBL204594 0.86 TTK (0.51) MAPK1KMT2APOLBMEN1ALDH1A1
SCHEMBL204732 0.85 KDM4E (0.65) HSD17B10MAPK1TSHRKMT2ATP53
SCHEMBL5117801 0.84 POLB (0.57) HSD17B10KMT2ATP53NPSR1POLB
SCHEMBL3920156 0.84 TSHR (0.58) HSD17B10MAPK10TSHRCYP1A2CYP2D6
SCHEMBL204780 0.83 MKNK1 (0.54) HSD17B10TSHRCYP1A2CYP2D6CYP2C19
SCHEMBL505555 0.82 NPC1 (0.61) HSD17B10MAPK1MAPK10TSHRCYP1A2
SCHEMBL206176 0.80 TRPV1 (0.52) HSD17B10MAPK1MAPK10TSHRCYP1A2
SCHEMBL204534 0.80 KDM4E (0.55) KMT2ATP53POLBMEN1LMNA

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 HSD17B10 1316/4885MAPK1 3179/4885MAPK10 3673/4885

“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.