SCHEMBL1317853

SCHEMBL1317853

CNc1nc(Cl)cc(N2C[C@@H](C(=O)NCc3ccccc3)CC[C@H]2C(F)(F)F)n1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 8/20 0.47
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 1/20 0.42
ALK Q9UM73 2/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
GAA P10253 1/20 0.40
CYP2C9 P11712 1/20 0.40
IGF1R P08069 1/20 0.40

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
SCHEMBL1317848 1.00 EPHX2 (0.47) EPHX2LMNAHTTSMN1; SMN2POLB
SCHEMBL1317851 1.00 EPHX2 (0.47) EPHX2LMNAHTTSMN1; SMN2POLB
SCHEMBL1317877 0.88 EPHX2 (0.49) EPHX2LMNAHTTSMN1; SMN2POLB
SCHEMBL1317797 0.88 EPHX2 (0.43) EPHX2LMNAHTTSMN1; SMN2POLB
SCHEMBL1317792 0.88 EPHX2 (0.43) EPHX2LMNAHTTSMN1; SMN2POLB
SCHEMBL1317794 0.88 EPHX2 (0.43) EPHX2LMNAHTTSMN1; SMN2POLB
SCHEMBL1317256 0.87 POLB (0.41) EPHX2LMNAHTTSMN1; SMN2POLB
SCHEMBL1317258 0.87 POLB (0.41) EPHX2LMNAHTTSMN1; SMN2POLB
SCHEMBL1319051 0.83 EPHX2 (0.48) EPHX2LMNAHTTSMN1; SMN2POLB
SCHEMBL1319582 0.83 EPHX2 (0.48) EPHX2LMNAHTTSMN1; SMN2POLB

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 4071/4885LMNA 4686/4885HTT 4020/4885

“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.