SCHEMBL3237294

SCHEMBL3237294

CC(=O)N([C]=S)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 5/20 0.39
TSHR P16473 3/20 0.39
GLA P06280 1/20 0.39
KMT2A Q03164 6/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
MEN1 O00255 4/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
APAF1 O14727 1/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CES2 O00748 1/20 0.35

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
SCHEMBL3239982 0.83 NPSR1 (0.44) NPSR1ALDH1A1TSHRGLAKMT2A
SCHEMBL4732140 0.83 NPSR1 (0.44) NPSR1ALDH1A1TSHRGLAKMT2A
SCHEMBL2866274 0.79 NPSR1 (0.41) NPSR1ALDH1A1TSHRGLAKMT2A
SCHEMBL437417 0.79 NPSR1 (0.41) NPSR1ALDH1A1TSHRGLAKMT2A
SCHEMBL9134202 0.79 NPSR1 (0.41) NPSR1ALDH1A1TSHRGLAKMT2A
SCHEMBL28249141 0.78 ALDH1A1 (0.40) NPSR1ALDH1A1TSHRGLAKMT2A
SCHEMBL6375630 0.75 NPSR1 (0.46) NPSR1ALDH1A1TSHRGLAKMT2A
SCHEMBL6870378 0.74 ALDH1A1 (0.50) ALDH1A1TSHRGLAKMT2AMEN1
SCHEMBL11875536 0.71 ALDH1A1 (0.39) NPSR1ALDH1A1TSHRGLAKMT2A
SCHEMBL3245007 0.71 NPSR1 (0.38) NPSR1ALDH1A1TSHRGLAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1167366-B1 AMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2010-05-05 EP disclosed
CN-1162427-C Amine derivatives compounds ������������ʽ���� 2004-08-18 CN disclosed
US-6562849-B1 Amine compound or pharmacologically acceptable salt thereof. These compounds are useful in the treatment and/or prophylaxis of diseases such as diabetes, hyperlipemia, arteriosclerosis, cancer, etc. SANKYO COMPANY, LIMITED (JP) 2003-05-13 US disclosed
US-20030078426-A1 Amine derivative compounds SANKYO COMPANY, LIMITED (JP) 2003-04-24 US disclosed
CN-1354750-A Amine derivatives compounds SANKYO CO (JP) 2002-06-19 CN disclosed
EP-1167366-A1 AMINE DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 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 (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-20030078426-A1 Amine derivative compounds H1-10, APOB, PRMT1 NPSR1 2349/4885ALDH1A1 874/4885TSHR 2306/4885

“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.