SCHEMBL209379

SCHEMBL209379

O=C(O)N1CCN(Cc2nccs2)CC1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.59
CYP3A4 P08684 11/20 0.55
CYP2D6 P10635 7/20 0.54
USP2 O75604 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
CYP2C19 P33261 4/20 0.50
ALOX15 P16050 2/20 0.50
MAPK1 P28482 3/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP2C9 P11712 4/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CYP1A2 P05177 3/20 0.47

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
SCHEMBL2733360 0.79 CYP3A4 (0.60) TSHRCYP3A4CYP2D6USP2SMN1; SMN2
SCHEMBL14338850 0.78 ALOX15 (0.56) TSHRCYP3A4CYP2D6USP2SMN1; SMN2
SCHEMBL4487346 0.78 ALOX15 (0.59) TSHRCYP3A4CYP2D6USP2SMN1; SMN2
SCHEMBL807362 0.76 ALOX15 (0.58) TSHRCYP3A4CYP2D6USP2SMN1; SMN2
SCHEMBL3015930 0.76 SIGMAR1 (0.58) TSHRCYP3A4CYP2D6SMN1; SMN2ALOX15
SCHEMBL27893519 0.76 CYP3A4 (0.50) TSHRCYP3A4CYP2D6USP2SMN1; SMN2
SCHEMBL6218968 0.76 ALOX15 (0.54) TSHRCYP3A4CYP2D6USP2SMN1; SMN2
SCHEMBL16797869 0.76 CYP1A2 (0.56) TSHRCYP3A4CYP2D6USP2SMN1; SMN2
SCHEMBL16797885 0.76 EPHX2 (0.52) TSHRCYP3A4CYP2D6USP2SMN1; SMN2
SCHEMBL19078748 0.76 TSHR (0.50) TSHRCYP3A4CYP2D6USP2CYP2C19

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963315-B1 ENZYME INHIBITORS CANCER REC TECH LTD (GB) 2014-10-08 EP disclosed
US-8088761-B2 Enzyme inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2012-01-03 US disclosed
US-20090247507-A1 Enzyme Inhibitors THE INSTITUTE OF CANCER RESEARCH (GB) 2009-10-01 US disclosed
EP-1963315-A2 ENZYME INHIBITORS The Institute of Cancer Research (GB) 2008-09-03 EP disclosed
WO-2007072017-A2 ENZYME INHIBITORS THE INSTITUTE OF CANCER RESEARCH (GB) 2007-06-28 WO 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-20090247507-A1 Enzyme Inhibitors AURKC, AURKB, AURKA TSHR 2859/4885CYP3A4 439/4885CYP2D6 1028/4885

“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.