SCHEMBL3239381

SCHEMBL3239381

CC(C)N(C=S)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.40
FAAH O00519 1/20 0.38
PHGDH O43175 1/20 0.38
MGLL Q99685 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
LMNA P02545 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 7/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ESR1 P03372 1/20 0.34
ALOX12 P18054 2/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34

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
SCHEMBL149788 0.77 ALDH1A1 (0.40) NPSR1CA12CA2CA9LMNA
SCHEMBL1740936 0.69 MEN1 (0.42) NPSR1FAAHPHGDHMGLLCA12
SCHEMBL3240542 0.69 ALDH1A1 (0.37) NPSR1FAAHPHGDHMGLLCA12
Isopropyldiphenylamine SCHEMBL2119054 0.67 ALDH1A1 (0.50) NPSR1LMNAALDH1A1SMN1; SMN2TP53
Isopropyldiphenylamine SCHEMBL2119060 0.67 ALDH1A1 (0.50) NPSR1LMNAALDH1A1SMN1; SMN2TP53
SCHEMBL1741922 0.67 ALDH1A1 (0.39) NPSR1FAAHPHGDHMGLLCA12
SCHEMBL141145 0.67 ALDH1A1 (0.42) NPSR1CA12CA2CA9LMNA
SCHEMBL6743610 0.67 KMT2A (0.37) NPSR1FAAHPHGDHMGLLCA12
SCHEMBL94821 0.65 MEN1 (0.44) FAAHPHGDHMGLLCA12CA2
SCHEMBL21158705 0.65 ALDH1A1 (0.41) NPSR1CA12CA2CA9LMNA

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 NPSR1 2349/4885FAAH 1901/4885PHGDH 2888/4885

“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.