SCHEMBL3245690

SCHEMBL3245690

ClC(c1[c]c2ccccc2cc1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
CYP3A4 P08684 2/20 0.30
CYP2D6 P10635 2/20 0.30
SLC6A2 P23975 2/20 0.30
SLC6A4 P31645 2/20 0.30
SLC6A3 Q01959 2/20 0.30
KCNH2 Q12809 2/20 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
SCHEMBL7306721 0.80 TSHR (0.32) TSHR
SCHEMBL3249688 0.78 TYR (0.33) KDM4ECYP2D6
SCHEMBL3248018 0.78 CYP3A4 (0.30) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL3525809 0.77
SCHEMBL5512345 0.74 KDM4E (0.37) KDM4EALDH1A1HPGDCYP3A4
SCHEMBL3237406 0.74 ESR1 (0.33)
SCHEMBL3240095 0.74 SMN1; SMN2 (0.35) TSHRKDM4ECYP3A4CYP2D6SLC6A2
SCHEMBL198668 0.72 UGT2B7 (0.36) KDM4E
SCHEMBL20562141 0.72
SCHEMBL8818207 0.72 UGT2B7 (0.32)

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 2306/4885KDM4E 377/4885ALDH1A1 874/4885

“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.