SCHEMBL206399

SCHEMBL206399

NC(=O)c1cccc2oc(-c3ccc(F)cc3)nc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 4/20 0.53
UTRN P46939 1/20 0.49
TOP2A P11388 2/20 0.48
MAPT P10636 3/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
RAB9A P51151 2/20 0.45
HSD17B10 Q99714 2/20 0.45
TP53 P04637 1/20 0.45
PARP1 P09874 5/20 0.43
HDAC6 Q9UBN7 1/20 0.42
NPC1 O15118 1/20 0.42
GRM2 Q14416 1/20 0.40
HSPD1 P10809 1/20 0.40
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPN5 P54829 1/20 0.40
HSPE1 P61604 1/20 0.40
CEPT1 Q9Y6K0 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
SCHEMBL121392 0.89 HTR3A (0.54) HTR3AUTRNTOP2AMAPTKDM4E
SCHEMBL206525 0.87 PARP1 (0.52) HTR3ATOP2AMAPTKDM4EALDH1A1
SCHEMBL3710917 0.87 TOP2A (0.58) HTR3ATOP2AMAPTKDM4EALDH1A1
SCHEMBL204764 0.87 TOP2A (0.61) HTR3ATOP2AKDM4EALDH1A1RAB9A
SCHEMBL205454 0.86 TOP2A (0.48) HTR3ATOP2AMAPTKDM4EALDH1A1
SCHEMBL121628 0.86 HTR3A (0.55) HTR3AUTRNTOP2AMAPTKDM4E
SCHEMBL204524 0.86 PARP1 (0.53) HTR3ATOP2AMAPTKDM4EALDH1A1
SCHEMBL206391 0.86 PARP1 (0.53) HTR3ATOP2APARP1
SCHEMBL206244 0.84 PKN1 (0.52) HTR3ATOP2AMAPTKDM4EALDH1A1
SCHEMBL1387272 0.83 PARP1 (0.58) HTR3ATOP2AMAPTKDM4EALDH1A1

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 HTR3A 2187/4885UTRN 3639/4885TOP2A 70/4885

“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.