SCHEMBL3193294

SCHEMBL3193294

CC1(C)C=Cc2cc([N+](=O)[O-])ccc2O1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR3 O15455 1/20 0.59
HIF1A Q16665 9/20 0.57
EPAS1 Q99814 9/20 0.57
CA9 Q16790 3/20 0.51
CA12 O43570 2/20 0.51
CA1 P00915 2/20 0.51
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPT P10636 2/20 0.48
HTT P42858 1/20 0.48
GFER P55789 1/20 0.47
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44
CA7 P43166 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL30065909 0.87 TLR3 (0.59) TLR3HIF1AEPAS1CA9CA12
SCHEMBL2861820 0.87 TLR3 (0.59) TLR3HIF1AEPAS1CA9CA12
SCHEMBL6976994 0.82 PTGS1 (0.62) TLR3HIF1AEPAS1CA9CA12
SCHEMBL8315997 0.81 CA9 (0.49) TLR3HIF1AEPAS1CA9CA12
SCHEMBL8316093 0.81 PTGS1 (0.47) TLR3HIF1AEPAS1CA9CA12
SCHEMBL12155549 0.79 ALDH1A1 (0.51) TLR3HIF1AEPAS1CA1MEN1
SCHEMBL27330130 0.79 CA9 (0.50) TLR3HIF1AEPAS1CA9CA12
SCHEMBL928563 0.79 CA9 (0.44) TLR3HIF1AEPAS1CA9CA12
SCHEMBL9205782 0.79 CA9 (0.44) TLR3HIF1AEPAS1CA9CA12
SCHEMBL3258594 0.79 CA9 (0.44) TLR3HIF1AEPAS1CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1535918-B1 PROCESS FOR PRODUCING AMINOBENZOPYRAN COMPOUND NISSAN CHEMICAL IND LTD (JP) 2010-11-03 EP claimed
US-7683189-B2 Process for producing aminobenzopyran compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-03-23 US claimed
US-20050192444-A1 Process for producing aminobenzopyran compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2005-09-01 US claimed
EP-1535918-A1 PROCESS FOR PRODUCING AMINOBENZOPYRAN COMPOUND Nissan Chemical Industries, Ltd. (JP) 2005-06-01 EP claimed
US-9745280-B2 Compound or pharmaceutically acceptable salt thereof, and pharmaceutical composition containing same as active ingredient SNU R&DB FOUNDATION (KR) 2017-08-29 US disclosed
US-20160168161-A1 METHOD FOR PRODUCING HETEROCYCLIC COMPOUND NISSAN CHEMICAL INDUSTIES, LTD. (JP) 2016-06-16 US disclosed
US-20160168161-A1 METHOD FOR PRODUCING HETEROCYCLIC COMPOUND NISSAN CHEMICAL INDUSTIES, LTD. (JP) 2016-06-16 US disclosed
US-20160168161-A1 METHOD FOR PRODUCING HETEROCYCLIC COMPOUND NISSAN CHEMICAL INDUSTIES, LTD. (JP) 2016-06-16 US disclosed
EP-3026047-A1 METHOD FOR PRODUCING HETEROCYCLIC COMPOUND Nissan Chemical Industries, Ltd. (JP) 2016-06-01 EP disclosed
CN-105377826-A Process for producing heterocyclic compound NISSAN CHEMICAL IND LTD 2016-03-02 CN disclosed
CN-102190661-B Tricyclic benzopyran compound as anti-arrhythmic agents NISSAN CHEMICAL IND LTD 2013-07-31 CN disclosed
US-8394974-B2 Process for producing optically active chromene oxide compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-03-12 US disclosed
EP-1109801-A1 SUBSTITUTED DIHYDROBENZOPYRANS USEFUL AS ANTIARRHYTHMIC AGENTS THE PROCTER & GAMBLE COMPANY (US) 2001-06-27 EP disclosed
CN-1270169-A Benzopyrane derivatives and preparation thereof SMITHKLINE BEECHAM PLC (GB) 2000-10-18 CN disclosed
WO-2000014084-A1 SUBSTITUTED DIHYDROBENZOPYRANS USEFUL AS ANTIARRHYTHMIC AGENTS THE PROCTER & GAMBLE COMPANY (US) 2000-03-16 WO disclosed
CN-1036918-C Novel benzopyran derivatives CHUGAI SEIYAKU PHARMACEUTICAL (JP) 1998-01-07 CN disclosed
US-5164509-A BENZODIAZOLO ANALOGS E. R. SQUIBB & SONS, INC. (US) 1992-11-17 US disclosed
EP-0488107-A2 Tricyclic benzodiazole analogs and their use in the treatment of cardiovascular disorders E.R. SQUIBB & SONS, INC. (US) 1992-06-03 EP disclosed
CN-1047672-A PYRANYL CYANOGUANIDINE DERIVATIVES SQUIBB & SONS INC (US) 1990-12-12 CN disclosed
US-4110347-A ANTIHYPERTENSIVE BEECHAM GROUP LIMITED (GB) 1978-08-29 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 (2 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-20050192444-A1 Process for producing aminobenzopyran compound ALDH7A1, ACMSD, MANBA TLR3 4641/4885HIF1A 404/4885EPAS1 3320/4885
US-20160168161-A1 METHOD FOR PRODUCING HETEROCYCLIC COMPOUND H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NAT1, NAT10 TLR3 4339/4885HIF1A 3098/4885EPAS1 4052/4885

“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.