SCHEMBL12435950

SCHEMBL12435950

COc1ccc(NC(=O)c2ccc(CO)c(NC(C)C)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.56
RAB9A P51151 11/20 0.56
SMN1; SMN2 Q16637 6/20 0.56
TP53 P04637 4/20 0.56
ALOX15 P16050 1/20 0.56
CASP3 P42574 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
PLAU P00749 1/20 0.52
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 2/20 0.51
CYP1A2 P05177 2/20 0.51
LMNA P02545 2/20 0.51
MAPT P10636 2/20 0.50
TAS1R3 Q7RTX0 1/20 0.50
TAS1R1 Q7RTX1 1/20 0.50
TAS1R2 Q8TE23 1/20 0.50
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
CYP3A4 P08684 1/20 0.49
GAA P10253 1/20 0.49

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
SCHEMBL12435942 0.84 NPC1 (0.57) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL12436031 0.83 MAPK1 (0.57) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL12435960 0.82 NPC1 (0.55) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL12429013 0.80 NPC1 (0.61) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL12428708 0.77 NPC1 (0.59) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL2917029 0.76 NPC1 (0.82) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL17512400 0.76 HDAC8 (0.63) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL6799157 0.74 RAB9A (1.00) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL16675159 0.73 NPC1 (0.83) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL16675165 0.73 NPC1 (0.83) NPC1RAB9ASMN1; SMN2TP53ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110178108-A1 Group of amino substituted benzoyl derivatives and their preparation and their use Institute of Medicinal Biotechnology Academy of Medical Science (CN) 2011-07-21 US 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-20110178108-A1 Group of amino substituted benzoyl derivatives and their preparation and their use CUL3, APOBEC3G, BRPF3 NPC1 3314/4885RAB9A 1374/4885SMN1; SMN2 4598/4885

“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.