SCHEMBL6392177

SCHEMBL6392177

COc1ccc(CC(=O)NCc2ccc(-c3nc(C(=O)N4CCCCC4C)co3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.44
NPC1 O15118 5/20 0.44
RAB9A P51151 3/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
PDE4B Q07343 3/20 0.44
PDE4D Q08499 3/20 0.44
THRB P10828 1/20 0.44
GAA P10253 1/20 0.43
CYP2D6 P10635 1/20 0.42
ERCC1 P07992 1/20 0.42
ERCC4 Q92889 1/20 0.42
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL6396015 0.91 GAA (0.48) HRH3NPC1RAB9ATP53HPGD
SCHEMBL6392499 0.89 PDE4B (0.48) NPC1RAB9ATP53HPGDTSHR
SCHEMBL6396862 0.88 KMT2A (0.48) HRH3NPC1RAB9ATP53TSHR
SCHEMBL6391881 0.86 NPC1 (0.48) NPC1RAB9ATSHRSMN1; SMN2HDAC1
SCHEMBL6392360 0.85 HPGD (0.47) NPC1RAB9ATP53HPGDTSHR
SCHEMBL6394460 0.84 HPGD (0.52) NPC1RAB9AHPGDSMN1; SMN2HDAC1
SCHEMBL6391810 0.84 PDE4B (0.48) NPC1RAB9ATSHRSMN1; SMN2HDAC1
SCHEMBL6392907 0.83 GAA (0.38) HRH3NPC1RAB9ATP53HPGD
SCHEMBL6393829 0.83 NPC1 (0.46) HRH3NPC1RAB9ATP53TSHR
SCHEMBL6398430 0.82 HDAC1 (0.45) NPC1RAB9ATSHRSMN1; SMN2HDAC1

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 HRH3 4143/4885NPC1 1275/4885RAB9A 4115/4885

“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.