SCHEMBL3240546

SCHEMBL3240546

Cc1cc(N[C]=S)c(C)cc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
HSD17B10 Q99714 4/20 0.43
PKM P14618 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C19 P33261 2/20 0.43
ALOX15 P16050 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
G6PD P11413 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
ALOX12 P18054 1/20 0.43
MAPK1 P28482 1/20 0.43
CCR6 P51684 1/20 0.43
HIF1A Q16665 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GAA P10253 6/20 0.41
GFER P55789 1/20 0.41

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
SCHEMBL3251625 0.79 GAA (0.45) ALDH1A1HSD17B10PKMCYP1A2CYP3A4
SCHEMBL2741245 0.73 ALDH1A1 (0.50) ALDH1A1HSD17B10PKMCYP1A2CYP3A4
SCHEMBL3240550 0.72 ALDH1A1 (0.44) ALDH1A1HSD17B10PKMCYP1A2CYP3A4
SCHEMBL70123 0.71 MAPT (0.75) ALDH1A1HSD17B10PKMCYP1A2CYP3A4
SCHEMBL3426419 0.69 L3MBTL1 (0.50) ALDH1A1HSD17B10PKMCYP1A2CYP3A4
SCHEMBL10406585 0.68 RAPGEF4 (0.50) ALDH1A1HPGDALOX12GAAKMT2A
SCHEMBL1758595 0.68 RAPGEF4 (0.48) ALDH1A1HSD17B10CYP1A2CYP2C19KDM4E
SCHEMBL4695941 0.68 POLB (0.57) ALDH1A1HSD17B10PKMCYP1A2CYP3A4
SCHEMBL18870880 0.67 ALDH1A1 (0.43) ALDH1A1HSD17B10PKMCYP1A2CYP3A4
SCHEMBL5888424 0.67 POLB (0.56) ALDH1A1HSD17B10PKMCYP1A2CYP3A4

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 4 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
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
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 ALDH1A1 874/4885HSD17B10 776/4885PKM 3664/4885

“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.