SCHEMBL9944083

SCHEMBL9944083

Cc1cc(NC(=O)c2cc(C)c(C)c(Cl)c2)ccc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
KMT2A Q03164 4/20 0.50
PKM P14618 2/20 0.50
MEN1 O00255 2/20 0.50
MAPT P10636 2/20 0.50
KDM4E B2RXH2 1/20 0.50
TP53 P04637 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
CYP1A2 P05177 1/20 0.48
NR1H4 Q96RI1 2/20 0.47
FKBP5 Q13451 1/20 0.47
POLB P06746 1/20 0.46
CASP3 P42574 1/20 0.46
SENP7 Q9BQF6 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
SCHEMBL9944088 0.94 NPC1 (0.53) NPC1RAB9AKMT2APKMMEN1
SCHEMBL9944098 0.90 PKM (0.60) NPC1RAB9AKMT2APKMMEN1
SCHEMBL9944095 0.88 RARA (0.52) NPC1RAB9AKMT2APKMMEN1
SCHEMBL9944079 0.87 KMT2A (0.54) NPC1RAB9AKMT2APKMMEN1
SCHEMBL9944102 0.85 NPC1 (0.48) NPC1RAB9AKMT2APKMMEN1
SCHEMBL9944138 0.85 TAS1R3 (0.57) NPC1RAB9AKMT2APKMMEN1
SCHEMBL1457759 0.84 TAS1R3 (0.64) NPC1RAB9AKMT2APKMMEN1
SCHEMBL9944099 0.84 RAB9A (0.50) NPC1RAB9AKMT2APKMMEN1
SCHEMBL9944084 0.83 RAB9A (0.51) NPC1RAB9AKMT2APKMMEN1
SCHEMBL9944089 0.82 PKM (0.65) NPC1RAB9AKMT2APKMMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9447028-B2 Therapeutic aryl-amido-aryl compounds and their use KING'S COLLEGE LONDON (GB) 2016-09-20 US disclosed
US-20160039747-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use KING'S COLLEGE LONDON (GB) 2016-02-11 US disclosed
US-20120149737-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use KING'S COLLEGE LONDON (GB) 2012-06-14 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 (2 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-20120149737-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use RARA, RARB, RARG NPC1 277/4885RAB9A 271/4885KMT2A 1418/4885
US-20160039747-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use RARA, RARB, RARG NPC1 277/4885RAB9A 271/4885KMT2A 1418/4885

“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.