SCHEMBL840362

SCHEMBL840362

[CH2]Cc1ccccc1NC(C)=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
HPGD P15428 1/20 0.55
MAPK1 P28482 1/20 0.51
TSHR P16473 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HTT P42858 1/20 0.50
CYP2C19 P33261 2/20 0.49
POLB P06746 1/20 0.49
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
BRD4 O60885 1/20 0.46
HSD17B10 Q99714 2/20 0.45
NAPRT Q6XQN6 1/20 0.45
MAOA P21397 1/20 0.45
TSPO P30536 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
NPC1 O15118 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
SCHEMBL8421119 0.85 ALDH1A1 (0.52) ALDH1A1HPGDMAPK1TSHRSMN1; SMN2
SCHEMBL7086389 0.85 ALDH1A1 (0.55) ALDH1A1HPGDMAPK1TSHRSMN1; SMN2
SCHEMBL1644965 0.84 MAPK1 (0.59) ALDH1A1HPGDMAPK1TSHRSMN1; SMN2
SCHEMBL27401813 0.82 GAA (0.48) ALDH1A1HPGDSMN1; SMN2HTTPOLB
SCHEMBL3150784 0.82 ALDH1A1 (0.59) ALDH1A1HPGDMAPK1TSHRSMN1; SMN2
SCHEMBL7055476 0.82 ALDH1A1 (0.57) ALDH1A1HPGDMAPK1TSHRSMN1; SMN2
SCHEMBL30168125 0.82 ALDH1A1 (0.59) ALDH1A1HPGDMAPK1TSHRSMN1; SMN2
SCHEMBL4196369 0.81 ALDH1A1 (0.52) ALDH1A1HPGDMAPK1TSHRSMN1; SMN2
SCHEMBL7466732 0.81 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2HTTPOLBL3MBTL1
SCHEMBL6475322 0.81 ALDH1A1 (0.55) ALDH1A1HPGDMAPK1TSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7056937-B2 Sulfonylquinoxalone derivatives as bradykinin antagonists ELAN PHARMACEUTICALS, INC. (US) 2006-06-06 US claimed
US-20040147519-A1 Sulfonylquinoxalone acetamide derivatives as bradykinin antagonists ELAN PHARMACEUTICALS, INC. 2004-07-29 US claimed
US-5849746-A Substituted 1,4-piperazine-heteroaryl derivatives as 5-HT1D receptor agonists MERCK SHARP & DOHME LTD. (GB) 1998-12-15 US claimed
CN-110579936-B Thermally developable photosensitive material and medical film using the same 柯尼卡美能达株式会社 2023-10-27 CN disclosed
CN-110579936-A Heat-developable photosensitive material and medical film using the same 柯尼卡美能达株式会社 2019-12-17 CN disclosed
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
EP-1493819-B1 PROCESS FOR PRODUCING EITHER OPTICALLY ACTIVE N-SUBSTITUTED BETA-AMINO ACID AND OPTICALLY ACTIVE N-SUBSTITUTED BETA-AMINO ACID ESTER OR OPTICALLY ACTIVE N-SUBSTITUTED 2-HOMOPIPECOLIC ACID AND OPTICALLY ACTIVE N-SUBSTITUTED 2-HOMOPIPECOLIC ACID ESTER UBE INDUSTRIES (JP) 2014-11-12 EP disclosed
CN-101040053-B Process for producing optically active (S or R) -beta-amino acid and optically active (R or S) -beta-amino acid ester, and beta-amino acid 2-alkoxyethyl ester and optically active (S or R) -beta-amino acid 2-alkoxyethyl ester UBE INDUSTRIES 2013-04-24 CN disclosed
CN-102994606-A Process for production of optically active (S)- or (R)-beta-amino acids and optically active (R)- or (S)-beta -amino acid esters, and optically active (S)- or (R)-2-alkoxyethyl esters of beta-amino acids. UBE INDUSTRIES 2013-03-27 CN disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
CN-101248184-B Process for production of optically active (S or R)-a-amino acid or optically active (S or R)-a -amino acid ester UBE INDUSTRIES 2013-01-16 CN disclosed
EP-0796258-A1 AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES AS 5HT1 RECEPTOR AGONISTS MERCK SHARP & DOHME LTD. (GB) 1997-09-24 EP disclosed
US-5656642-A Peripheral vasodilating agent containing piperidine derivative as active ingredient OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-08-12 US disclosed
WO-1997018201-A1 AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1997-05-22 WO disclosed
WO-1996023785-A1 SUBSTITUTED 1,4-PIPERAZINE-HETEROARYL DERIVATIVES AS 5-HT1D RECEPTOR AGONISTS MERCK SHARP & DOHME LIMITED (GB) 1996-08-08 WO disclosed
WO-1996017842-A1 AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES AS 5HT1 RECEPTOR AGONISTS MERCK SHARP & DOHME LIMITED (GB) 1996-06-13 WO disclosed
WO-1996004274-A1 AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1996-02-15 WO disclosed
CN-1104412-A Peripheral Vasodilating agent containing N-acylated 4-amino piperidine derivatives as active ingredients OTSUKA PHARMA CO LTD (JP) 1995-06-28 CN disclosed
EP-0650476-A1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-05-03 EP disclosed
WO-1994022826-A1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-13 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 (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-20040147519-A1 Sulfonylquinoxalone acetamide derivatives as bradykinin antagonists BDKRB2, BDKRB1, HRH2 ALDH1A1 2364/4885HPGD 73/4885MAPK1 1867/4885

“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.