SCHEMBL3239796

SCHEMBL3239796

CN(C)N(C=S)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
ALDH1A1 P00352 2/20 0.52
AOC3 Q16853 1/20 0.48
CA12 O43570 2/20 0.44
CA9 Q16790 2/20 0.44
MGLL Q99685 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
CYP2C19 P33261 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
LMNA P02545 2/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR2A P28223 1/20 0.41
SLC6A4 P31645 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
SCHEMBL1816747 0.79 TSHR (0.52) TSHRALDH1A1AOC3CA12CA9
SCHEMBL3247642 0.79 TSHR (0.52) TSHRALDH1A1AOC3CA12CA9
SCHEMBL3239638 0.78 TSHR (0.56) TSHRALDH1A1AOC3CA12CA9
Hydrochloric Acid SCHEMBL8339698 0.78 TSHR (0.50) TSHRALDH1A1AOC3CA12CA9
SCHEMBL8335334 0.73 ALDH1A1 (0.48) TSHRALDH1A1AOC3CA12CA9
SCHEMBL11821323 0.71 TSHR (0.48) TSHRALDH1A1AOC3CA12CA9
SCHEMBL11394833 0.70 TSHR (0.64) TSHRALDH1A1AOC3CA12CA9
SCHEMBL11352917 0.70 ALDH1A1 (0.64) TSHRALDH1A1AOC3CA12CA9
SCHEMBL3249918 0.70 MGLL (0.45) TSHRALDH1A1AOC3CA12CA9
SCHEMBL3237296 0.70 ALDH1A1 (0.44) TSHRALDH1A1AOC3CA12CA9

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 TSHR 2306/4885ALDH1A1 874/4885AOC3 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.