SCHEMBL1317792

SCHEMBL1317792

CSc1nc(Cl)cc(N2C[C@H](C(=O)NCc3ccccc3)CC[C@@H]2C(F)(F)F)n1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.43
RXFP1 Q9HBX9 1/20 0.40
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
PPARG P37231 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
MAPT P10636 1/20 0.38
AADAT Q8N5Z0 1/20 0.38

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
SCHEMBL1317794 1.00 EPHX2 (0.43) EPHX2RXFP1LMNAHTTSMN1; SMN2
SCHEMBL1317797 1.00 EPHX2 (0.43) EPHX2RXFP1LMNAHTTSMN1; SMN2
SCHEMBL1317853 0.88 EPHX2 (0.47) EPHX2LMNAHTTSMN1; SMN2POLB
SCHEMBL1317851 0.88 EPHX2 (0.47) EPHX2LMNAHTTSMN1; SMN2POLB
SCHEMBL1317848 0.88 EPHX2 (0.47) EPHX2LMNAHTTSMN1; SMN2POLB
SCHEMBL1317258 0.85 POLB (0.41) EPHX2LMNAHTTSMN1; SMN2POLB
SCHEMBL1317256 0.85 POLB (0.41) EPHX2LMNAHTTSMN1; SMN2POLB
SCHEMBL1317781 0.83 KMT2A (0.42) EPHX2LMNAHTTPOLBALDH1A1
SCHEMBL1317784 0.83 KMT2A (0.42) EPHX2LMNAHTTPOLBALDH1A1
SCHEMBL1316836 0.80 CNR1 (0.40) EPHX2GAAALDH1A1HPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2362775-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-08-05 EP disclosed
US-8697685-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2014-04-15 US disclosed
US-20110275611-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-11-10 US 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-20110275611-A1 CHEMICAL COMPOUNDS PDK1, PDK2, PDK3 EPHX2 4071/4885RXFP1 1525/4885LMNA 4686/4885

“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.