SCHEMBL3247516

SCHEMBL3247516

S=[C]NC(Cl)(Cl)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
CYP1A2 P05177 1/20 0.37
KCNN4 O15554 4/20 0.34
ALDH1A1 P00352 1/20 0.33
MIF P14174 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL3246081 0.77 TSHR (0.44) TSHRCYP1A2KCNN4ALDH1A1MAPK1
SCHEMBL11315435 0.76 KCNN4 (0.48) TSHRCYP1A2KCNN4ALDH1A1MIF
SCHEMBL9202415 0.73 KCNN4 (0.39) KCNN4ALDH1A1MAPK1
SCHEMBL3246877 0.73 TSHR (0.44) TSHRCYP1A2KCNN4ALDH1A1MIF
SCHEMBL15129282 0.70 TSHR (0.52) TSHRCYP1A2KCNN4ALDH1A1MAPK1
SCHEMBL9574047 0.69 TSHR (0.50) TSHRCYP1A2KCNN4ALDH1A1MIF
SCHEMBL3246631 0.68 CYP2D6 (0.36) TSHRCYP1A2KCNN4ALDH1A1MIF
Hydrochloric Acid SCHEMBL7429032 0.67 TSHR (0.48) TSHRCYP1A2KCNN4ALDH1A1MAPK1
Hydrochloric Acid SCHEMBL5388736 0.67 KCNN4 (0.54) TSHRCYP1A2KCNN4ALDH1A1MAPK1
SCHEMBL5199180 0.64 TSHR (0.58) TSHRCYP1A2KCNN4ALDH1A1MAPK1

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 2306/4885CYP1A2 1561/4885KCNN4 3033/4885

“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.