SCHEMBL12428708

SCHEMBL12428708

CNc1cc(C(=O)Nc2cc(OC)cc(OC)c2)ccc1CO

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.59
RAB9A P51151 5/20 0.59
SMN1; SMN2 Q16637 5/20 0.59
KMT2A Q03164 5/20 0.59
TP53 P04637 4/20 0.59
ALDH1A1 P00352 3/20 0.59
MEN1 O00255 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
GAA P10253 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
PLAU P00749 2/20 0.55
HTT P42858 2/20 0.55
PLG P00747 1/20 0.53
NAMPT P43490 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
PKM P14618 1/20 0.46
ALOX15 P16050 1/20 0.46

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
SCHEMBL2217779 0.83 NPC1 (0.64) NPC1RAB9ASMN1; SMN2KMT2ATP53
SCHEMBL12435948 0.81 NPC1 (0.58) NPC1RAB9ASMN1; SMN2KMT2ATP53
SCHEMBL31680508 0.79 NPC1 (0.93) NPC1RAB9ASMN1; SMN2KMT2ATP53
SCHEMBL12435942 0.78 NPC1 (0.57) NPC1RAB9ASMN1; SMN2KMT2ATP53
SCHEMBL12436031 0.77 MAPK1 (0.57) NPC1RAB9ASMN1; SMN2KMT2ATP53
SCHEMBL12435950 0.77 NPC1 (0.56) NPC1RAB9ASMN1; SMN2KMT2ATP53
SCHEMBL12435951 0.76 RXFP1 (0.60) NPC1RAB9ASMN1; SMN2KMT2ATP53
SCHEMBL29244617 0.76 KDM4E (0.48) NPC1SMN1; SMN2KMT2AALDH1A1GAA
SCHEMBL12435960 0.76 NPC1 (0.55) NPC1RAB9ASMN1; SMN2KMT2ATP53
SCHEMBL4248077 0.76 NPC1 (1.00) NPC1RAB9ASMN1; SMN2KMT2ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2351731-A1 A GROUP OF AMINO SUBSTITUTED BENZOYL DERIVATIVES AND THEIR PREPARATION AND THEIR USE Institute Of Medicinal Biotechnology, Chinese Academy of Medical Sciences (CN) 2011-08-03 EP disclosed
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.