SCHEMBL6950684

SCHEMBL6950684

O=[N+]([O-])c1ccc2c(c1)C=CCO2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 2/20 0.60
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
MAPT P10636 5/20 0.46
HTT P42858 1/20 0.46
CYP2B6 P20813 1/20 0.41
TSHR P16473 2/20 0.38
LMNA P02545 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
STAT3 P40763 1/20 0.38
MTOR P42345 1/20 0.38
HIF1A Q16665 1/20 0.38
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL11128755 0.87 CA9 (0.49) CA9CA12CA1MEN1KMT2A
SCHEMBL6337030 0.84 CA9 (0.57) CA9CA12CA1MEN1KMT2A
SCHEMBL11864307 0.83 CA9 (0.48) CA9CA12CA1MEN1KMT2A
SCHEMBL27818553 0.82 ALDH1A1 (0.42) CA9CA1MEN1KMT2AMAPT
SCHEMBL4233516 0.78 CA9 (0.62) CA9CA12CA1MEN1KMT2A
Nitrobenzene SCHEMBL28096447 0.78 ALDH1A1 (0.50) CA9MEN1KMT2AMAPTHTT
SCHEMBL7289948 0.73 CA9 (0.49) CA9CA12CA1MEN1KMT2A
SCHEMBL277261 0.73 CYP2B6 (0.46) CA9CA1CYP2B6STS
SCHEMBL11370046 0.73 MEN1 (0.59) CA9CA12CA1MEN1KMT2A
SCHEMBL31561630 0.72 CA9 (0.44) CA9CA12CA1MEN1KMT2A

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-1228058-B1 BENZOPYRANYL GUANIDINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DONGBU HANNONG CHEMICAL CO LTD (KR) 2003-12-10 EP disclosed
US-20030130342-A1 Glycoprotein llb/llla antagonists FISHER MATTHEW J (US) 2003-07-10 US disclosed
EP-1228058-A4 BENZOPYRANYL GUANIDINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DONGBU HANNONG CHEMICAL CO LTD (KR) 2003-02-12 EP disclosed
EP-0804431-B9 GLYCOPROTEIN IIb/IIIa ANTAGONISTS LILLY CO ELI (US) 2003-01-02 EP disclosed
US-6448269-B1 SUCH AS 6-(N-(4-(AMINOIMINOMETHYL)BENZOYL)AMINO)-3,4-DIHYDRO-4,4-DIMETHYL-2H-1 -BENZOPYRAN-2-YL)ACETIC ACID; INHIBITING PLATELET AGGREGATION OR FIBRINOGEN BINDING OR PREVENTING THROMBOSIS ELI LILLY AND COMPANY 2002-09-10 US disclosed
EP-1228058-A1 BENZOPYRANYL GUANIDINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dongbu Hannong Chemical Co., Ltd. (KR) 2002-08-07 EP disclosed
EP-0804431-B1 GLYCOPROTEIN IIb/IIIa ANTAGONISTS LILLY CO ELI (US) 2002-07-24 EP disclosed
WO-2001029023-A1 BENZOPYRANYL GUANIDINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2001-04-26 WO disclosed
US-6020362-A ANTICOAGULANTS ELI LILLY AND COMPANY (US) 2000-02-01 US disclosed
CN-1044605-C Benzopyran and oxazine derivative CHUGAI PHARMACEUTICAL CO LTD (JP) 1999-08-11 CN disclosed
EP-0709370-B1 Bicyclic compounds useful as platelet aggregation inhibitors MITSUI CHEMICALS INC (JP) 1999-01-13 EP disclosed
EP-0804431-A4 GLYCOPROTEIN IIb/IIIa ANTAGONISTS LILLY CO ELI (US) 1998-04-29 EP disclosed
US-5731324-A Glycoprotein IIb/IIIa antagonists ELI LILLY AND COMPANY (US) 1998-03-24 US disclosed
CN-1036918-C Novel benzopyran derivatives CHUGAI SEIYAKU PHARMACEUTICAL (JP) 1998-01-07 CN disclosed
EP-0804431-A1 GLYCOPROTEIN IIb/IIIa ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-11-05 EP disclosed
WO-1996022288-A1 GLYCOPROTEIN IIb/IIIa ANTAGONISTS ELI LILLY AND COMPANY (US) 1996-07-25 WO disclosed
EP-0709370-A1 Bicyclic compounds useful as platelet aggregation inhibitors MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-05-01 EP disclosed
CN-1086817-A Chromene and benzo-oxazine derivative CHUGAI PHARMACEUTICAL CO LTD (JP) 1994-05-18 CN disclosed
CN-1077954-A New 1-benzopyran derivatives CHUGAI PHARMACEUTICAL CO LTD (JP) 1993-11-03 CN 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-20030130342-A1 Glycoprotein llb/llla antagonists SELL, SELPLG, LY96 CA9 4610/4885CA12 4526/4885CA1 4746/4885

“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.