SCHEMBL7019557

SCHEMBL7019557

COCCOCCOCCOCCOc1ccc(N)cc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.57
TDP1 Q9NUW8 4/20 0.53
KDM4E B2RXH2 1/20 0.53
RECQL P46063 1/20 0.53
TSHR P16473 1/20 0.52
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 1/20 0.45
CYP3A4 P08684 1/20 0.45
NFE2L2 Q16236 1/20 0.43

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
SCHEMBL3021121 1.00 APP (0.57) APPTDP1KDM4ERECQLTSHR
SCHEMBL1235262 1.00 APP (0.57) APPTDP1KDM4ERECQLTSHR
SCHEMBL16758740 1.00 APP (0.57) APPTDP1KDM4ERECQLTSHR
SCHEMBL5357 0.94 TDP1 (0.59) APPTDP1KDM4ERECQLTSHR
SCHEMBL15814832 0.92 APP (0.50) APPTDP1KDM4ERECQLTSHR
SCHEMBL15071342 0.89 APP (0.67) APPTDP1KDM4ETSHRNPC1
SCHEMBL3611926 0.89 KDM4E (0.61) APPTDP1KDM4ERECQLMAPK1
SCHEMBL12703538 0.89 KDM4E (0.61) APPTDP1KDM4ERECQLMAPK1
SCHEMBL1353069 0.89 APP (0.67) APPTDP1KDM4ETSHRNPC1
SCHEMBL7911522 0.89 APP (0.67) APPTDP1KDM4ETSHRNPC1

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3388435-B1 PYRROLOBENZODIAZEPINES AND TARGETED CONJUGATES SEAGEN INC (US) 2023-05-03 EP disclosed
EP-3173414-A1 HETEROCYCLIC COMPOUNDS AND USES AS ANTICANCER AGENTS ACEA Biosciences Inc. (US) 2017-05-31 EP disclosed
EP-2188271-B1 HETEROCYCLIC COMPOUNDS AND USES AS ANTICANCER AGENTS ACEA BIOSCIENCES INC (US) 2017-01-11 EP disclosed
US-20160046576-A1 NOVEL PYRROLE DERIVATIVES UNIV LEICESTER (GB) 2016-02-18 US disclosed
US-9221756-B2 Pyrrole derivatives UNIVERSITY OF LEICESTER (GB) 2015-12-29 US disclosed
US-20140309193-A1 NOVEL PYRROLE DERIVATIVES UNIVERSITY OF LEICESTER (GB) 2014-10-16 US disclosed
US-20130096088-A1 Inhibitors of Protein Tyrosine Kinase Activity METHYLGENE INC. (CA) 2013-04-18 US disclosed
US-20130096088-A1 Inhibitors of Protein Tyrosine Kinase Activity METHYLGENE INC. (CA) 2013-04-18 US disclosed
WO-2013055990-A1 PYRROLOBENZODIAZEPINES AND TARGETED CONJUGATES SEATTLE GENETICS, INC. (US) 2013-04-18 WO disclosed
WO-2013044361-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC. (CA) 2013-04-04 WO disclosed
WO-2013044361-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC. (CA) 2013-04-04 WO disclosed
US-8252822-B2 Heterocyclic compounds and uses as anticancer agents ACEA BIOSCIENCES, INC. (US) 2012-08-28 US disclosed
US-8252822-B2 Heterocyclic compounds and uses as anticancer agents ACEA BIOSCIENCES, INC. (US) 2012-08-28 US disclosed
WO-2009023402-A2 HETEROCYCLIC COMPOUNDS AND USES AS ANTICANCER AGENTS ACEA BIOSCIENCES INC. (US) 2009-02-19 WO disclosed
US-20090048271-A1 HETEROCYCLIC COMPOUNDS AND USES AS ANTICANCER AGENTS ACEA Therapeutics, Inc. 2009-02-19 US disclosed
US-20090048271-A1 HETEROCYCLIC COMPOUNDS AND USES AS ANTICANCER AGENTS ACEA Therapeutics, Inc. 2009-02-19 US disclosed
EP-0745894-B1 Black and white photographic elements containing release compounds and method of preparing photographic emulsion EASTMAN KODAK CO (US) 2003-01-22 EP disclosed
EP-0745894-A1 Black and white photographic elements containing release compounds and method of preparing photographic emulsion EASTMAN KODAK COMPANY (US) 1996-12-04 EP disclosed
US-5500338-A Black and white photographic elements containing release compounds and method of preparing photographic emulsion EASTMAN KODAK COMPANY (US) 1996-03-19 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 (4 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-20090048271-A1 HETEROCYCLIC COMPOUNDS AND USES AS ANTICANCER AGENTS MKI67, CCNC, HCCS APP 4861/4885TDP1 2861/4885KDM4E 2327/4885
US-20130096088-A1 Inhibitors of Protein Tyrosine Kinase Activity KDR, FLT1, FLT4 APP 4580/4885TDP1 919/4885KDM4E 3367/4885
US-20160046576-A1 NOVEL PYRROLE DERIVATIVES PYCR1, ARG1, PNISR APP 2881/4885TDP1 971/4885KDM4E 1392/4885
US-20140309193-A1 NOVEL PYRROLE DERIVATIVES PYCR1, ARG1, PNISR APP 2881/4885TDP1 971/4885KDM4E 1392/4885

“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.