SCHEMBL3619110

SCHEMBL3619110

[O]Cc1ccc2cc3ccccc3cc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.52
CYP2A6 P11509 1/20 0.52
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
HBB P68871 1/20 0.44
HIF1A Q16665 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
SIGMAR1 Q99720 1/20 0.41
MC4R P32245 1/20 0.41
MC5R P33032 1/20 0.41
KMT2A Q03164 1/20 0.41
RAB9A P51151 1/20 0.41
BCHE P06276 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
SCHEMBL128991 0.93 CYP1A2 (0.60) CYP1A2CYP2A6HTR2AHTR2CHTR2B
SCHEMBL16414540 0.82 CYP1A2 (0.50) CYP1A2CYP2A6ALDH1A1CYP3A4ALOX15
SCHEMBL20930067 0.81 CYP1A2 (0.52) CYP1A2CYP2A6ALDH1A1CYP3A4ALOX15
SCHEMBL16414518 0.79 CYP1A2 (0.56) CYP1A2CYP2A6SIGMAR1MC4RMC5R
SCHEMBL28846677 0.78 CYP1A2 (0.60) CYP1A2CYP2A6ALDH1A1CYP3A4ALOX15
SCHEMBL29058801 0.77 CYP1A2 (0.48) CYP1A2CYP2A6ALDH1A1CYP3A4ALOX15
SCHEMBL11634757 0.77 CYP1A2 (0.48) CYP1A2CYP2A6ALDH1A1CYP3A4ALOX15
SCHEMBL27548336 0.77 ALDH1A1 (0.56) CYP1A2CYP2A6ALDH1A1CYP3A4HIF1A
SCHEMBL15352037 0.77 CYP1A2 (0.54) CYP1A2CYP2A6SIGMAR1HRH3
SCHEMBL25418645 0.76 ASIC3 (0.58) CYP1A2CYP2A6ALDH1A1CYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3020715-B1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2021-06-16 EP disclosed
US-9888688-B2 Tetrazolinone compounds and applications thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-02-13 US disclosed
EP-2841433-B1 TETRAZOLINONE COMPOUNDS AND ITS USE SUMITOMO CHEMICAL CO (JP) 2017-06-21 EP disclosed
EP-2650281-B1 PROCESS FOR PREPARING CYCLIC AMINE COMPOUNDS KANEKA CORP (JP) 2016-07-13 EP disclosed
US-9380782-B2 Tetrazolinone compounds and its use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-07-05 US disclosed
US-20160150787-A1 TETRAZOLINONE COMPOUNDS AND APPLICATIONS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-06-02 US disclosed
EP-3020715-A1 TETRAZOLINONE COMPOUND AND USE THEREOF Sumitomo Chemical Company Limited (JP) 2016-05-18 EP disclosed
US-9096523-B2 Process for preparing cyclic amine compounds KANEKA CORPORATION (JP) 2015-08-04 US disclosed
EP-2841433-A1 TETRAZOLINONE COMPOUNDS AND ITS USE Sumitomo Chemical Company Limited (JP) 2015-03-04 EP disclosed
US-20150031733-A1 TETRAZOLINONE COMPOUNDS AND ITS USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-01-29 US disclosed
US-20130303771-A1 PROCESS FOR PREPARING CYCLIC AMINE COMPOUNDS KANEKA CORPORATION (JP) 2013-11-14 US disclosed
WO-2013162077-A1 TETRAZOLINONE COMPOUNDS AND ITS USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-10-31 WO disclosed
EP-2650281-A1 PROCESS FOR PREPARING CYCLIC AMINE COMPOUNDS KANEKA CORPORATION (JP) 2013-10-16 EP disclosed
US-20100076005-A1 ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES UNIBIOSCREEN SA (BE) 2010-03-25 US disclosed
EP-2089395-A2 NEW ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES UnibioScreen S.A. (BE) 2009-08-19 EP disclosed
WO-2008043846-A2 NEW ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES UNIBIOSCREEN SA (BE) 2008-04-17 WO disclosed
EP-0558749-A1 ANTISENSE NUCLEIC ACID DERIVATIVE SANKYO COMPANY LIMITED (JP) 1993-09-08 EP disclosed
EP-0498680-A1 New beta-amino-alpha-hydroxycarboxylic acids and their use Sankyo Company Limited (JP) 1992-08-12 EP 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-20130303771-A1 PROCESS FOR PREPARING CYCLIC AMINE COMPOUNDS SMS, SRM, PAM CYP1A2 696/4885CYP2A6 812/4885ALDH1A1 2956/4885
US-20100076005-A1 ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES MIF, IMPDH1, IMPDH2 CYP1A2 1208/4885CYP2A6 2709/4885ALDH1A1 445/4885
US-20160150787-A1 TETRAZOLINONE COMPOUNDS AND APPLICATIONS THEREOF SOD1, UQCRB, MT-CO1 CYP1A2 135/4885CYP2A6 216/4885ALDH1A1 1192/4885
US-20150031733-A1 TETRAZOLINONE COMPOUNDS AND ITS USE CBR3, CYP51A1, CYP8B1 CYP1A2 18/4885CYP2A6 127/4885ALDH1A1 1716/4885

“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.