SCHEMBL6398155

SCHEMBL6398155

CCOc1ccc(CC(=O)NCc2ccc(-c3nc(C(=O)N4CCCCC4)co3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.46
HPGD P15428 3/20 0.45
HTT P42858 1/20 0.44
MAPT P10636 5/20 0.44
NPC1 O15118 3/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
GAA P10253 1/20 0.44
KDM4E B2RXH2 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 2/20 0.42
TP53 P04637 4/20 0.42
MEN1 O00255 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL6391881 0.91 NPC1 (0.48) RAB9AKMT2APOLBMAPTNPC1
SCHEMBL6392472 0.88 KMT2A (0.48) RAB9AKMT2APOLBHPGDHTT
SCHEMBL6396250 0.87 TSHR (0.53) RAB9AKMT2AMAPTNPC1ALDH1A1
SCHEMBL6393949 0.87 PDE4B (0.44) RAB9AKMT2APOLBHTTMAPT
SCHEMBL6399238 0.87 TSHR (0.53) RAB9AKMT2AMAPTNPC1ALDH1A1
SCHEMBL6394374 0.87 TSHR (0.53) RAB9AKMT2AMAPTNPC1ALDH1A1
SCHEMBL6390751 0.87 CACNA1G (0.46) KMT2ATSHRGAA
SCHEMBL6392667 0.86 ALDH1A1 (0.49) RAB9AKMT2APOLBMAPTNPC1
SCHEMBL6390137 0.86 GAA (0.55) RAB9AKMT2AHPGDHTTMAPT
SCHEMBL6390671 0.86 KMT2A (0.54) RAB9AKMT2AMAPTNPC1ALDH1A1

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 RAB9A 4115/4885KMT2A 3412/4885POLB 3215/4885

“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.