SCHEMBL6390751

SCHEMBL6390751

O=C(Cc1ccc(OC(F)(F)F)cc1)NCc1ccc(-c2nc(C(=O)N3CCCCC3)co2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 1/20 0.46
CACNA1H O95180 1/20 0.46
CACNA1I Q9P0X4 1/20 0.46
SCN10A Q9Y5Y9 1/20 0.45
HRH3 Q9Y5N1 1/20 0.42
EPHX2 P34913 5/20 0.42
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NOS2 P35228 1/20 0.40
STAT3 P40763 1/20 0.40
MAPK8 P45983 1/20 0.40
MAPK10 P53779 1/20 0.40
SHMT2 P34897 1/20 0.40
PPARA Q07869 1/20 0.39
LTA4H P09960 1/20 0.39
HTR2C P28335 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
SCHEMBL6397185 0.92 EPHX2 (0.46) CACNA1GCACNA1HCACNA1ISCN10AEPHX2
SCHEMBL6395841 0.91 SCN10A (0.43) CACNA1GCACNA1HCACNA1ISCN10AHRH3
SCHEMBL6398988 0.89 HRH3 (0.42) CACNA1GCACNA1HCACNA1ISCN10AHRH3
SCHEMBL6391321 0.89 EPHX2 (0.48) CACNA1GCACNA1HCACNA1ISCN10AHRH3
SCHEMBL6391881 0.88 NPC1 (0.48) TSHRKMT2A
SCHEMBL6395919 0.88 CACNA1G (0.43) CACNA1GCACNA1HCACNA1ISCN10AHRH3
SCHEMBL6390137 0.87 GAA (0.55) GAATSHRKMT2A
SCHEMBL6391883 0.87 CACNA1G (0.44) CACNA1GCACNA1HCACNA1ISCN10AHRH3
SCHEMBL6398155 0.87 RAB9A (0.46) GAATSHRKMT2A
SCHEMBL6394374 0.86 TSHR (0.53) GAATSHRKMT2A

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 CACNA1G 4674/4885CACNA1H 4762/4885CACNA1I 4659/4885

“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.