SCHEMBL1264071

SCHEMBL1264071

O=c1[nH]cc(O)c2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.59
KDM4E B2RXH2 5/20 0.59
ALDH1A1 P00352 3/20 0.59
LMNA P02545 2/20 0.59
CYP1A2 P05177 2/20 0.59
BLM P54132 2/20 0.59
PARP15 Q460N3 2/20 0.59
HSD17B10 Q99714 2/20 0.59
HPGD P15428 2/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2C9 P11712 1/20 0.59
RAB9A P51151 1/20 0.59
IDO1 P14902 2/20 0.46
RECQL P46063 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
DAO P14920 2/20 0.43
SERPINE1 P05121 2/20 0.42
HDAC3 O15379 1/20 0.41
EP300 Q09472 1/20 0.41
KAT2B Q92831 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
SCHEMBL31160182 1.00 PARP1 (0.59) PARP1KDM4EALDH1A1LMNACYP1A2
SCHEMBL830808 0.74 PARP1 (1.00) PARP1KDM4EALDH1A1LMNACYP1A2
SCHEMBL2676355 0.74 KDM4E (1.00) PARP1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL8173040 0.74 PARP1 (0.51) PARP1KDM4EALDH1A1LMNACYP1A2
SCHEMBL16139620 0.74 KDM5C (0.47) PARP1KDM4EALDH1A1LMNACYP1A2
SCHEMBL10028294 0.74 DAO (0.50) PARP1ALDH1A1DAOERCC1ERCC4
SCHEMBL14826545 0.74 PARP1 (0.72) PARP1KDM4ETNKS2ROCK2TNKS
SCHEMBL8690342 0.73 PARP1 (0.59) PARP1KDM4EALDH1A1LMNACYP1A2
SCHEMBL151493 0.73 PARP1 (0.59) PARP1KDM4EALDH1A1LMNACYP1A2
SCHEMBL555325 0.73 PARP1 (0.55) PARP1KDM4EALDH1A1LMNACYP1A2

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-57212161-A None JP disclosed
EP-3057586-A1 BROMODOMAIN INHIBITORS Celgene Quanticel Research, Inc. (US) 2016-08-24 EP disclosed
WO-2015058160-A1 BROMODOMAIN INHIBITORS Quanticel Pharmaceuticals, Inc. (US) 2015-04-23 WO disclosed
US-8877929-B2 Process for synthesizing substituted isoquinolines BRISTOL-MYERS SQUIBB COMPANY (US) 2014-11-04 US disclosed
US-20130123503-A1 Process for Synthesizing Substituted Isoquinolines BRISTOL-MYERS SQUIBB COMPANY (US) 2013-05-16 US disclosed
US-8357806-B2 Process for synthesizing substituted isoquinolines BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-22 US disclosed
US-20120220774-A1 Process for Synthesizing Substituted Isoquinolines BRISTOL-MYERS SQUIBB COMPANY 2012-08-30 US disclosed
US-8207341-B2 Process or synthesizing substituted isoquinolines BRISTOL-MYERS SQUIBB COMPANY (US) 2012-06-26 US disclosed
US-7893071-B2 Substituted phthalimide and isoquinoline derivatives; thalidomide analogs that lack the piperidine-2,6-dione moiety of thalidomide UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2011-02-22 US disclosed
US-7893071-B2 Substituted phthalimide and isoquinoline derivatives; thalidomide analogs that lack the piperidine-2,6-dione moiety of thalidomide UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2011-02-22 US disclosed
EP-1389103-A4 SYNTHESIS AND EVALUATION OF NOVEL PHTHALIMIDE MIMICS AS ANTI-ANGIOGENIC AGENTS UNIV VIRGINIA (US) 2005-09-14 EP disclosed
US-20040122030-A1 Synthesis and evaluation of novel phthalimide mimics as anti-angiogenic UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2004-06-24 US disclosed
EP-1389103-A2 SYNTHESIS AND EVALUATION OF NOVEL PHTHALIMIDE MIMICS AS ANTI-ANGIOGENIC AGENTS THE UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2004-02-18 EP disclosed
WO-2002086078-A2 SYNTHESIS AND EVALUATION OF NOVEL PHTHALIMIDE MIMICS AS ANTI-ANGIOGENIC AGENTS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2002-10-31 WO disclosed
EP-0165110-B1 OPTICALLY ACTIVE ISOCARBOSTYRIL DERIVATIVES AND A METHOD OF PREPARING THE SAME NISSHIN FLOUR MILLING CO., LTD. (JP) 1988-12-28 EP disclosed
US-4659833-A FOUR OPTICAL ISOMERS OF 1-(2'-(O-METHOXYPHENYL)-1'-METHYLETHYLAMINO)-3-(4\"-ISOCARBOSTYRILOXY)-2 -PROPANOL ISOLATED BY LIQUID CHROMATOGRAPHY NISSHIN FLOUR MILLING CO., LTD. (JP) 1987-04-21 US disclosed
EP-0165110-A1 Optically active isocarbostyril derivatives and a method of preparing the same NISSHIN FLOUR MILLING CO., LTD. (JP) 1985-12-18 EP disclosed
US-4517365-A Isocarbostyril derivative NISSHIN FLOUR MILLING CO., LTD. (JP) 1985-05-14 US disclosed
JP-S57212161-A ISOCARBOSTYRIL DERIVATIVE NISSHIN FLOUR MILLING CO LTD 1982-12-27 JP disclosed
US-3974041-A Image recording member with zeolitic water containing compounds CANON KABUSHIKI KAISHA (JA) 1976-08-10 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 (3 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-20130123503-A1 Process for Synthesizing Substituted Isoquinolines POLQ, SFPQ, SYNCRIP PARP1 295/4885KDM4E 1067/4885ALDH1A1 1643/4885
US-20120220774-A1 Process for Synthesizing Substituted Isoquinolines POLQ, SFPQ, SYNCRIP PARP1 295/4885KDM4E 1067/4885ALDH1A1 1643/4885
US-20040122030-A1 Synthesis and evaluation of novel phthalimide mimics as anti-angiogenic KDR, FLT4, FLT1 PARP1 2686/4885KDM4E 439/4885ALDH1A1 1161/4885

“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.