SCHEMBL6397185

SCHEMBL6397185

O=C(Cc1ccc(OC(F)(F)F)cc1)NCc1ccc(-c2nc(C(=O)N3CCOCC3)co2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.46
SCN10A Q9Y5Y9 2/20 0.44
CACNA1G O43497 1/20 0.41
CACNA1H O95180 1/20 0.41
CACNA1I Q9P0X4 1/20 0.41
SCN2A Q99250 1/20 0.41
PKM P14618 1/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
SCN9A Q15858 2/20 0.40
SCN5A Q14524 1/20 0.40
STAT3 P40763 1/20 0.40
MAPK8 P45983 1/20 0.39
MAPK10 P53779 1/20 0.39
SHMT2 P34897 1/20 0.39
LIPC P11150 1/20 0.39
LIPG Q9Y5X9 1/20 0.39
ABL1 P00519 1/20 0.39
BCR P11274 1/20 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
SCHEMBL6390751 0.92 CACNA1G (0.46) EPHX2SCN10ACACNA1GCACNA1HCACNA1I
SCHEMBL6395841 0.90 SCN10A (0.43) EPHX2SCN10ACACNA1GCACNA1HCACNA1I
SCHEMBL6391321 0.88 EPHX2 (0.48) EPHX2SCN10ACACNA1GCACNA1HCACNA1I
SCHEMBL6392880 0.86 TSHR (0.53) GAATSHRKMT2AABL1BCR
SCHEMBL6398988 0.85 HRH3 (0.42) EPHX2SCN10ACACNA1GCACNA1HCACNA1I
SCHEMBL6396504 0.84 SCN10A (0.51) EPHX2SCN10ACACNA1GCACNA1HCACNA1I
SCHEMBL6392921 0.84 TSHR (0.50) GAATSHRKMT2AABL1BCR
SCHEMBL6397000 0.84 SCN10A (0.52) EPHX2SCN10AGAATSHRKMT2A
SCHEMBL6397565 0.81 TSHR (0.41) GAATSHRKMT2A
SCHEMBL6395919 0.81 CACNA1G (0.43) EPHX2SCN10ACACNA1GCACNA1HCACNA1I

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050026929-A1 Novel phenyl derivatives as inducers of apoptosis AXYS PHARMACEUTICALS, INC. (US) 2005-02-03 US claimed
WO-2003090680-A2 NOVEL PHENYL DERIVATIVES AS INDUCERS OF APOPTOSIS AXYS PHARMACEUTICALS, INC. (US) 2003-11-06 WO claimed
US-20050026929-A1 Novel phenyl derivatives as inducers of apoptosis AXYS PHARMACEUTICALS, INC. (US) 2005-02-03 US disclosed
WO-2003090680-A2 NOVEL PHENYL DERIVATIVES AS INDUCERS OF APOPTOSIS AXYS PHARMACEUTICALS, INC. (US) 2003-11-06 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-20050026929-A1 Novel phenyl derivatives as inducers of apoptosis BAX, BAD, CASP3 EPHX2 3120/4885SCN10A 4649/4885CACNA1G 4674/4885

“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.