SCHEMBL4918943

SCHEMBL4918943

[CH2]CCCOCCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
IDO1 P14902 1/20 0.45
HRH3 Q9Y5N1 3/20 0.45
KCNH2 Q12809 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 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
SCHEMBL2165874 0.94 MEN1 (0.45) MEN1KMT2ACA1CA2CA9
SCHEMBL1580318 0.92 TDP1 (0.45) MEN1KMT2ACA1CA2CA9
SCHEMBL6420818 0.92 TDP1 (0.45) MEN1KMT2ACA1CA2CA9
SCHEMBL9021210 0.92 TDP1 (0.45) MEN1KMT2ACA1CA2CA9
SCHEMBL4922180 0.92 IDO1 (0.55) MEN1KMT2AIDO1HRH3
SCHEMBL57220 0.90 TDP1 (0.50) MEN1KMT2AIDO1HRH3TDP1
SCHEMBL9021331 0.88 TDP1 (0.53) MEN1KMT2AIDO1HRH3TDP1
SCHEMBL9021129 0.88 TDP1 (0.53) MEN1KMT2AIDO1HRH3TDP1
SCHEMBL9021259 0.88 TDP1 (0.53) MEN1KMT2AIDO1HRH3TDP1
SCHEMBL8495669 0.88 TDP1 (0.53) MEN1KMT2AIDO1HRH3TDP1

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
CN-104302644-A Thiazolecarboxamide derivatives and methods of use thereof NIHON NOHYAKU CO LTD 2015-01-21 CN disclosed
EP-2520570-A1 AMINOPYRIDINE COMPOUND Ube Industries, Ltd. (JP) 2012-11-07 EP disclosed
US-20120259123-A1 AMINOPYRIDINE COMPOUND UBE INDUSTRIES, LTD. (JP) 2012-10-11 US disclosed
CN-102666490-A Aminopyridine compound UBE INDUSTRIES 2012-09-12 CN disclosed
US-20080200475-A1 4-Piperazinothieno[2,3-D] Pyrimidine Compounds As Platelet Aggregation Inhibitors PFIZER INC. 2008-08-21 US disclosed
EP-1866317-A1 4-PIPERAZINOTHIENO [2, 3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS Pharmacia & Upjohn Company LLC (US) 2007-12-19 EP disclosed
CN-1296349-C Novel propionic acid derivatives ASAHI KASEI PHARMA CORP (JP) 2007-01-24 CN disclosed
WO-2006103555-A1 4-PIPERAZINOTHIENO [2, 3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-10-05 WO disclosed
US-7015345-B2 Propionic acid derivatives ASAHI KASEI PHARMA CORPORATION (JP) 2006-03-21 US disclosed
CN-1649834-A Novel propionic acid derivatives ASAHI KASEI PHARMA CORP (JP) 2005-08-03 CN disclosed
US-6448247-B1 TACHYKININ RECEPTOR ANTAGONIST; ESPECIALLY TO THE RECEPTORS FOR SUBSTANCE P (WHICH RECEPTORS ARE GENERALLY REFERRED TO AS ?NEUROKININ 1 RECEPTORS?) SANKYO COMPANY, LIMITED (JP) 2002-09-10 US disclosed
US-6159967-A Heterocyclic compounds having tachykinin receptor antagonist activity their preparation and their use SANKYO COMPANY, LIMITED (JP) 2000-12-12 US disclosed
EP-0796248-A1 CARBOSTYRIL DERIVATIVES AS ANTITHROMBOTIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-09-24 EP disclosed
CN-1157286-A N,N-dimethyl-1-t-butoxycarbonyl-4-phenylpiperidine-4-carboxamide SANKYO CO (JP) 1997-08-20 CN disclosed
EP-0776893-A1 Azaheterocyclic compounds having tachykinin receptor antagonist activity; Nk1 and NK2 SANKYO COMPANY LIMITED (JP) 1997-06-04 EP disclosed
WO-1997012869-A1 CARBOSTYRIL DERIVATIVES AS ANTITHROMBOTIC AGENTS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1997-04-10 WO disclosed
EP-0500853-B1 PHENYLETHANOLAMINES, DRUGS CONTAINING THESE COMPOUNDS, AND A METHOD OF PREPARING THEM THOMAE GMBH DR K (DE) 1996-12-27 EP disclosed
US-5393774-A Antispasmodic agents PIEPER HELMUT (DE) 1995-02-28 US disclosed
EP-0500853-A1 PHENYLETHANOLAMINES, DRUGS CONTAINING THESE COMPOUNDS, AND A METHOD OF PREPARING THEM. THOMAE GMBH DR K (DE) 1992-09-02 EP disclosed
WO-1992004316-A1 PHENYLETHANOLAMINES, DRUGS CONTAINING THESE COMPOUNDS, AND A METHOD OF PREPARING THEM DR. KARL THOMAE GMBH (DE) 1992-03-19 WO 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-20080200475-A1 4-Piperazinothieno[2,3-D] Pyrimidine Compounds As Platelet Aggregation Inhibitors PF4, TBXA2R, P2RY4 MEN1 4406/4885KMT2A 2100/4885CA1 4557/4885
US-20120259123-A1 AMINOPYRIDINE COMPOUND PTGIS, QDPR, PTGIR MEN1 1351/4885KMT2A 2691/4885CA1 3171/4885

“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.