SCHEMBL3239790

SCHEMBL3239790

CN(C)N([C]=S)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
TSHR P16473 3/20 0.52
AOC3 Q16853 1/20 0.48
LMNA P02545 2/20 0.46
MAOA P21397 2/20 0.46
MAOB P27338 2/20 0.46
USP2 O75604 1/20 0.46
CYP3A4 P08684 1/20 0.46
PYCR1 P32322 1/20 0.46
CA12 O43570 2/20 0.44
CA9 Q16790 2/20 0.44
MGLL Q99685 1/20 0.44
BLM P54132 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CARM1 Q86X55 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
PRMT8 Q9NR22 1/20 0.42
NPC1 O15118 2/20 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
SCHEMBL27511989 0.80 TAAR1 (0.55) AOC3ADRA2BADRA2CHTR2ATAAR1
SCHEMBL3247641 0.79 TSHR (0.52) ALDH1A1TSHRAOC3LMNAMAOA
SCHEMBL3239634 0.78 ALDH1A1 (0.56) ALDH1A1TSHRAOC3LMNAMAOA
SCHEMBL11107622 0.73 ALDH1A1 (0.60) ALDH1A1TSHRAOC3LMNAMAOA
SCHEMBL11821317 0.71 ALDH1A1 (0.52) ALDH1A1TSHRAOC3LMNAMAOA
SCHEMBL11352917 0.70 ALDH1A1 (0.64) ALDH1A1TSHRAOC3LMNAMAOA
SCHEMBL11394833 0.70 TSHR (0.64) ALDH1A1TSHRAOC3LMNAMAOA
SCHEMBL3249917 0.70 MGLL (0.45) ALDH1A1TSHRAOC3LMNAMAOA
SCHEMBL3237286 0.70 ALDH1A1 (0.45) ALDH1A1TSHRAOC3LMNAMAOA
SCHEMBL3251330 0.70 AOC3 (0.52) ALDH1A1TSHRAOC3LMNAMAOA

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 874/4885TSHR 2306/4885AOC3 662/4885

“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.