SCHEMBL206517

SCHEMBL206517

Cc1ccc(-c2nc3ccc(C)c(C(=O)O)c3o2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.50
RAB9A P51151 7/20 0.50
DHODH Q02127 1/20 0.49
ESR2 Q92731 1/20 0.45
IKBKB O14920 2/20 0.44
SMN1; SMN2 Q16637 7/20 0.44
ALDH1A1 P00352 7/20 0.44
KDM4E B2RXH2 6/20 0.44
HPGD P15428 5/20 0.44
HSD17B10 Q99714 5/20 0.44
TP53 P04637 5/20 0.44
MAPT P10636 4/20 0.43
NFKB1 P19838 3/20 0.43
NFKB2 Q00653 3/20 0.43
RELA Q04206 3/20 0.43
ATM Q13315 1/20 0.43
CETP P11597 1/20 0.42
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.41
TARBP2 Q15633 1/20 0.41

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
SCHEMBL205005 0.79 ESR2 (0.47) NPC1RAB9ADHODHESR2IKBKB
SCHEMBL206175 0.77 SMN1; SMN2 (0.48) NPC1RAB9AIKBKBSMN1; SMN2ALDH1A1
SCHEMBL206173 0.77 RARA (0.56) NPC1RAB9ADHODHESR2IKBKB
SCHEMBL206518 0.75 RARA (0.55) NPC1RAB9ADHODHESR2IKBKB
SCHEMBL17281454 0.75 NPC1 (0.57) NPC1RAB9ADHODHESR2IKBKB
SCHEMBL11565318 0.74 SMN1; SMN2 (0.59) NPC1RAB9AESR2SMN1; SMN2ALDH1A1
SCHEMBL204759 0.72 ESR2 (0.59) NPC1RAB9ADHODHESR2IKBKB
SCHEMBL14266188 0.72 NPC1 (0.58) NPC1RAB9ADHODHSMN1; SMN2ALDH1A1
SCHEMBL31261529 0.71 TTR (0.67) NPC1RAB9AESR2SMN1; SMN2ALDH1A1
SCHEMBL31301354 0.70 GAA (0.58) NPC1RAB9AIKBKBSMN1; SMN2ALDH1A1

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 NPC1 2716/4885RAB9A 3649/4885DHODH 2441/4885

“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.