SCHEMBL204539

SCHEMBL204539

NC(=O)c1cccc2nc(C34CCN(CC3)C4)oc12

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
DHODH Q02127 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
PARP1 P09874 10/20 0.36
AURKA O14965 1/20 0.34
RPS6KB1 P23443 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PARP2 Q9UGN5 1/20 0.33

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
SCHEMBL206724 0.95 PARP1 (0.36) ESR1ESR2DHODHSMN1; SMN2CHRM2
SCHEMBL204810 0.93 PARP1 (0.37) DHODHSMN1; SMN2CHRM2CHRM4CHRM5
SCHEMBL206585 0.92 DHODH (0.38) ESR1ESR2DHODHSMN1; SMN2PARP1
SCHEMBL204681 0.82 PARP1 (0.41) PARP1AURKARPS6KB1ALDH1A1PARP2
SCHEMBL205769 0.80 HSD17B10 (0.39) ESR2SMN1; SMN2KDM4EALDH1A1
SCHEMBL205457 0.78 KDM4E (0.36) DHODHPARP1AURKARPS6KB1KDM4E
SCHEMBL205440 0.76 KDM4E (0.35) DHODHPARP1KDM4EALDH1A1PARP2
SCHEMBL206535 0.75 PARP1 (0.42) PARP1AURKARPS6KB1
SCHEMBL205240 0.74 KDM4E (0.37) DHODHPARP1RPS6KB1KDM4EALDH1A1
SCHEMBL204482 0.74 PARP1 (0.41) PARP1AURKARPS6KB1ALDH1A1PARP2

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 6 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 claimed
EP-2247600-A2 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) Lead Therapeutics, Inc. (US) 2010-11-10 EP claimed
WO-2009099736-A2 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-08-13 WO claimed
US-20090197863-A1 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-08-06 US claimed
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 ESR1 2161/4885ESR2 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.