SCHEMBL205422

SCHEMBL205422

CC(=O)Nc1cccc(-c2nc3c(C(N)=O)cccc3o2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.56
DHODH Q02127 1/20 0.56
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
TSHR P16473 2/20 0.54
KDM4E B2RXH2 4/20 0.53
POLB P06746 3/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
USP2 O75604 2/20 0.53
MAPK10 P53779 1/20 0.53
MAPT P10636 3/20 0.51
ALDH1A1 P00352 2/20 0.51
TP53 P04637 2/20 0.51
RXFP1 Q9HBX9 1/20 0.51
PSMB11 A5LHX3 1/20 0.51
PSMD11 O00231 1/20 0.51
PSMD12 O00232 1/20 0.51
PSMD14 O00487 1/20 0.51

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
SCHEMBL205563 0.88 NPC1 (0.62) PARP1DHODHNPC1RAB9ASMN1; SMN2
SCHEMBL206652 0.85 HSD17B10 (0.53) PARP1NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL206178 0.80 PARP1 (0.54) PARP1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL204764 0.80 TOP2A (0.61) PARP1DHODHNPC1RAB9ASMN1; SMN2
SCHEMBL3710917 0.77 TOP2A (0.58) PARP1DHODHNPC1RAB9ASMN1; SMN2
SCHEMBL11622528 0.77 GAA (0.59) NPC1RAB9ASMN1; SMN2TSHRKDM4E
SCHEMBL204524 0.76 PARP1 (0.53) PARP1NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL11640571 0.76 PKM (0.77) NPC1RAB9ASMN1; SMN2TSHRKDM4E
SCHEMBL206911 0.75 RAB9A (0.51) PARP1NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL206244 0.75 PKN1 (0.52) PARP1SMN1; SMN2KDM4EPOLBMAPT

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 PARP1 1/4885DHODH 2441/4885NPC1 2716/4885

“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.