SCHEMBL4119802

SCHEMBL4119802

CC(C)(C)C(=O)C(=NNc1ccc(C(F)(F)F)cc1)Nc1ccc(Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.45
TRPV1 Q8NER1 3/20 0.45
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
MTOR P42345 2/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KIF11 P52732 1/20 0.40
TGM2 P21980 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PTGS1 P23219 2/20 0.39

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
SCHEMBL4119799 1.00 EPHX2 (0.45) EPHX2TRPV1LMNAHTTSMN1; SMN2
SCHEMBL4119812 0.93 EPHX2 (0.51) EPHX2TRPV1LMNAHTTMTOR
SCHEMBL4119809 0.93 EPHX2 (0.51) EPHX2TRPV1LMNAHTTMTOR
SCHEMBL4112937 0.91 KMT2A (0.49) LMNAHTTSMN1; SMN2NPC1RAB9A
SCHEMBL4112935 0.91 KMT2A (0.49) LMNAHTTSMN1; SMN2NPC1RAB9A
SCHEMBL4114912 0.88 MEN1 (0.48) EPHX2TRPV1LMNAHTTSMN1; SMN2
SCHEMBL4114916 0.88 MEN1 (0.48) EPHX2TRPV1LMNAHTTSMN1; SMN2
SCHEMBL4110161 0.88 MEN1 (0.48) EPHX2TRPV1LMNAHTTSMN1; SMN2
SCHEMBL4110158 0.88 MEN1 (0.48) EPHX2TRPV1LMNAHTTSMN1; SMN2
SCHEMBL4109459 0.87 CNR2 (0.51) EPHX2TRPV1LMNAHTTSMN1; SMN2

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-8546452-B2 S1P3 receptor antagonist TOA EIYO LTD. (JP) 2013-10-01 US disclosed
US-20090170895-A1 S1P3 RECEPTOR ANTAGONIST TOA EIYO LTD. (JP) 2009-07-02 US disclosed
EP-1935874-A1 S1P3 RECEPTOR ANTAGONIST TOA EIYO LTD. (JP) 2008-06-25 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-20090170895-A1 S1P3 RECEPTOR ANTAGONIST S1PR3, S1PR5, GPR3 EPHX2 2154/4885TRPV1 165/4885LMNA 2613/4885

“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.