SCHEMBL1444640

SCHEMBL1444640

O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC1CCNCC1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 2/20 0.59
▸ EPHX2 P34913 6/20 0.56
▸ CXCR3 P49682 5/20 0.54
▸ MAPT P10636 1/20 0.53
▸ PAK3 O75914 1/20 0.52
▸ PAK1 Q13153 1/20 0.52
▸ PAK2 Q13177 1/20 0.52
▸ UBE2M P61081 2/20 0.49
▸ DCUN1D1 Q96GG9 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ CYP2D6 P10635 1/20 0.48

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
SCHEMBL14465089 0.87 EPHX2 (0.68) EPHX1EPHX2CXCR3MAPTPAK3
SCHEMBL3956820 0.87 EPHX2 (0.77) EPHX1EPHX2MAPTUBE2MDCUN1D1
SCHEMBL2719754 0.86 EPHX1 (0.70) EPHX1EPHX2
SCHEMBL5598039 0.85 EPHX2 (0.75) EPHX1EPHX2CXCR3MAPTMEN1
SCHEMBL23736048 0.85 EPHX2 (0.75) EPHX1EPHX2CXCR3MAPTMEN1
SCHEMBL1444765 0.80 MAPT (0.49) EPHX1EPHX2CXCR3MAPT
SCHEMBL12885961 0.79 EPHX2 (0.66) EPHX1EPHX2CXCR3MEN1KMT2A
SCHEMBL1444668 0.79 CXCR3 (0.62) EPHX2CXCR3MAPTPAK3PAK1
SCHEMBL23230623 0.78 EPHX2 (0.57) EPHX1EPHX2CXCR3UBE2MDCUN1D1
SCHEMBL17130367 0.78 EPHX2 (0.67) EPHX1EPHX2MEN1KMT2A

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
US-20120220564-A1 SELECTIVE CALCIUM CHANNEL MODULATORS ZALICUS PHARMACEUTICALS LTD. (CA) 2012-08-30 — — US disclosed
US-20120220564-A1 SELECTIVE CALCIUM CHANNEL MODULATORS ZALICUS PHARMACEUTICALS LTD. (CA) 2012-08-30 — — US disclosed
WO-2011032291-A1 SELECTIVE CALCIUM CHANNEL MODULATORS ZALICUS PHARMACEUTICALS LTD . (CA) 2011-03-24 — — 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-20120220564-A1 SELECTIVE CALCIUM CHANNEL MODULATORS CACNA1G, CACNA1I, CACNA1H EPHX1 3549/4885EPHX2 3610/4885CXCR3 2678/4885

“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.

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