SCHEMBL12435960

SCHEMBL12435960

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 13/20 0.55
RAB9A P51151 13/20 0.55
SMN1; SMN2 Q16637 6/20 0.55
TP53 P04637 4/20 0.55
ALOX15 P16050 1/20 0.55
CASP3 P42574 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
PLAU P00749 1/20 0.51
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 2/20 0.50
CYP1A2 P05177 2/20 0.50
MAPT P10636 1/20 0.49
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
CYP3A4 P08684 1/20 0.48
GAA P10253 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
MAPK1 P28482 1/20 0.47

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
SCHEMBL12436031 0.89 MAPK1 (0.57) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL17507496 0.86 HDAC8 (0.62) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL12435922 0.84 ATM (0.51) SMN1; SMN2TP53ALDH1A1MAPTKMT2A
SCHEMBL12435942 0.83 NPC1 (0.57) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL12435950 0.82 NPC1 (0.56) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL12435959 0.81 ATM (0.47) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL12429013 0.79 NPC1 (0.61) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL12435970 0.79 TRPV1 (0.54) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL12435951 0.77 RXFP1 (0.60) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL27641819 0.76 L3MBTL1 (0.69) 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.