SCHEMBL9944113

SCHEMBL9944113

CCCOc1cc(C(=O)Nc2ccc(C(=O)O)c(F)c2)cc(Cl)c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
NPSR1 Q6W5P4 1/20 0.47
RARA P10276 1/20 0.44
RARB P10826 1/20 0.44
RARG P13631 1/20 0.44
TP53 P04637 1/20 0.44
RAB9A P51151 5/20 0.43
NPC1 O15118 4/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
HTT P42858 1/20 0.43
RECQL P46063 1/20 0.43
CPT1A P50416 2/20 0.43
CPT1B Q92523 2/20 0.43
ALDH1A1 P00352 2/20 0.43
PNLIP P16233 1/20 0.43
CPT2 P23786 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
MITF O75030 1/20 0.42
NFKB1 P19838 1/20 0.42

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
SCHEMBL9944117 0.86 RARA (0.44) RARARARBRARGRAB9ANPC1
SCHEMBL9944105 0.85 RARA (0.47) MAPTRARARARBRARGRAB9A
SCHEMBL9944095 0.81 RARA (0.52) MAPTRARARARBRARGTP53
SCHEMBL1458199 0.81 TAS1R3 (0.48) MAPTNPSR1RARARARBRARG
SCHEMBL1457720 0.81 MEN1 (0.66) MAPTNPSR1RARARARBRARG
SCHEMBL9944118 0.80 RARA (0.45) RARARARBRARGCPT1ACPT1B
SCHEMBL9944148 0.79 RAB9A (0.58) MAPTNPSR1RARARARBRARG
SCHEMBL1458215 0.78 RAB9A (0.54) MAPTNPSR1RARARARBRARG
SCHEMBL9944093 0.77 RARA (0.52) MAPTRARARARBRARGTP53
SCHEMBL12825318 0.76 RARA (0.53) MAPTNPSR1RARARARBRARG

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 MAPT 150/4885NPSR1 826/4885RARA 1/4885
US-20160039747-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use RARA, RARB, RARG MAPT 150/4885NPSR1 826/4885RARA 1/4885

“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.