SCHEMBL205361

SCHEMBL205361

CNCc1cccc(-c2nc3cccc(C(=O)OC)c3o2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 2/20 0.50
ESR2 Q92731 1/20 0.48
DHODH Q02127 1/20 0.48
VSIR Q9H7M9 6/20 0.46
MAPT P10636 2/20 0.43
ESR1 P03372 1/20 0.43
MAPK10 P53779 1/20 0.43
KMT2A Q03164 1/20 0.43
VDR P11473 1/20 0.42
P2RY14 Q15391 3/20 0.41
TOP2A P11388 1/20 0.41
PRMT6 Q96LA8 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HTR7 P34969 1/20 0.40

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
SCHEMBL206427 0.89 CETP (0.56) CETPESR2DHODHMAPTESR1
SCHEMBL205253 0.88 CYP4F2 (0.51) CETPESR2DHODHVSIRMAPT
SCHEMBL204672 0.88 DHODH (0.49) ESR2DHODHVSIRMAPTESR1
SCHEMBL206425 0.86 CETP (0.49) CETPESR2DHODHVSIRMAPT
SCHEMBL205664 0.85 VSIR (0.62) CETPESR2DHODHVSIR
SCHEMBL205254 0.82 CETP (0.54) CETPESR2DHODHMAPTVDR
SCHEMBL206621 0.82 MEN1 (0.48) CETPESR2DHODHKMT2AKDM4E
SCHEMBL9126988 0.82 DHODH (0.70) CETPESR2DHODHMAPTKMT2A
SCHEMBL205823 0.80 CHRM3 (0.55) KMT2A
SCHEMBL205349 0.80 DHODH (0.53) CETPESR2DHODHMAPTMAPK10

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 CETP 2602/4885ESR2 1492/4885DHODH 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.