SCHEMBL205172

SCHEMBL205172

COC(=O)c1cccc(O)c1NC(=O)c1ccc(OC)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 2/20 0.62
ALDH1A1 P00352 2/20 0.54
KDM4E B2RXH2 1/20 0.54
POLB P06746 1/20 0.54
HPGD P15428 1/20 0.54
F10 P00742 4/20 0.54
NPC1 O15118 4/20 0.53
TP53 P04637 3/20 0.53
RAB9A P51151 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
ALOX15 P16050 1/20 0.53
KMT2A Q03164 2/20 0.52
PKM P14618 1/20 0.52
MAPT P10636 2/20 0.51
KCNK9 Q9NPC2 1/20 0.51
MEN1 O00255 1/20 0.50
KLKB1 P03952 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
NFKB1 P19838 1/20 0.50

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
SCHEMBL144542 0.86 TSHR (0.64) PTPN11ALDH1A1KDM4EHPGDNPC1
SCHEMBL29760388 0.85 KMT2A (0.54) ALDH1A1KDM4EPOLBHPGDF10
SCHEMBL23040986 0.85 KMT2A (0.54) ALDH1A1KDM4EPOLBHPGDF10
SCHEMBL5222887 0.83 F10 (0.69) ALDH1A1F10NPC1TP53RAB9A
SCHEMBL8664134 0.82 TOP2A (0.54) PTPN11ALDH1A1KDM4EHPGDNPC1
SCHEMBL9979791 0.82 HDAC1 (0.63) ALDH1A1F10NPC1TP53RAB9A
SCHEMBL7028470 0.82 NPC1 (0.56) PTPN11ALDH1A1KDM4EPOLBNPC1
SCHEMBL9979760 0.80 F10 (0.56) ALDH1A1KDM4EF10NPC1TP53
SCHEMBL11045073 0.78 F10 (0.77) ALDH1A1KDM4EPOLBHPGDF10
SCHEMBL5402070 0.77 SMN1; SMN2 (0.58) ALDH1A1F10NPC1TP53RAB9A

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 10 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
EP-2247600-A2 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) Lead Therapeutics, Inc. (US) 2010-11-10 EP disclosed
WO-2009099736-A2 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-08-13 WO disclosed
US-20090197863-A1 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-08-06 US disclosed
EP-0879820-B1 Benzamide analogues, useful as PARP (ADP-Ribosyltransferase, ADPRT) DNA repair enzyme inhibitors UNIV NEWCASTLE VENTURES LTD (GB) 2001-12-12 EP disclosed
US-6316455-B1 Method of improving the effectiveness of a cytotoxic drug or radiotherapy using a quinazolinone compound NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 2001-11-13 US disclosed
US-6015827-A Benzoxazole-4-carboxamides and their use in inhibiting poly (adp-ribose) polymerase activity and improving cytotoxic effectiveness of cytotoxic drugs or radiotherapy NEWCASTLE UNIVERSITY VENTURES LIMITED 2000-01-18 US disclosed
US-5756510-A POTENTIATE EFFECTS OF CYTOTOXIC DRUGS OR RADIOTHERAPY NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 1998-05-26 US disclosed
EP-0749415-A1 BENZAMIDE ANALOGS, USEFUL AS PARP (ADP-RIBOSYLTRANSFERASE, ADPRT) DNA REPAIR ENZYME INHIBITORS NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 1996-12-27 EP disclosed
WO-1995024379-A1 BENZAMIDE ANALOGS, USEFUL AS PARP (ADP-RIBOSYLTRANSFERASE, ADPRT) DNA REPAIR ENZYME INHIBITORS NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 1995-09-14 WO 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 PTPN11 4647/4885ALDH1A1 398/4885KDM4E 1650/4885

“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.