SCHEMBL206173

SCHEMBL206173

Cc1ccc(-c2nc3c(C(=O)O)ccc(C)c3o2)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RARA P10276 12/20 0.56
RARB P10826 12/20 0.56
RARG P13631 12/20 0.56
SMN1; SMN2 Q16637 1/20 0.49
IKBKB O14920 2/20 0.47
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
HSD17B10 Q99714 1/20 0.45
DHODH Q02127 1/20 0.44
ESR2 Q92731 1/20 0.43
TARBP2 Q15633 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL206518 0.90 RARA (0.55) RARARARBRARGSMN1; SMN2IKBKB
SCHEMBL17059011 0.84 RARA (0.50) RARARARBRARGSMN1; SMN2IKBKB
SCHEMBL206232 0.78 TOP2A (0.56) SMN1; SMN2IKBKBKDM4EALDH1A1TSHR
SCHEMBL206175 0.77 SMN1; SMN2 (0.48) RARARARBRARGSMN1; SMN2IKBKB
SCHEMBL206517 0.77 NPC1 (0.50) SMN1; SMN2IKBKBKDM4EALDH1A1CYP1A2
SCHEMBL205006 0.76 RARA (0.46) RARARARBRARGSMN1; SMN2IKBKB
SCHEMBL18873093 0.74 RARA (0.50) RARARARBRARGSMN1; SMN2KDM4E
SCHEMBL11565318 0.74 SMN1; SMN2 (0.59) SMN1; SMN2KDM4EALDH1A1TSHRHSD17B10
SCHEMBL4966627 0.73 MCL1 (0.70) SMN1; SMN2KDM4EALDH1A1DHODH
SCHEMBL2964683 0.72 MAPT (0.47) SMN1; SMN2IKBKBKDM4EALDH1A1TSHR

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-8088760-B2 Benzoxazole carboxamide inhibitors of poly(ADP-ribose)polymerase (PARP) BIOMARIN PHARMACEUTICAL INC. (US) 2012-01-03 US 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 RARA 1951/4885RARB 2137/4885RARG 2090/4885

“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.