SCHEMBL9944100

SCHEMBL9944100

Cc1cc(C(=O)Nc2ccc(C(=O)O)c(F)c2)cc(Br)c1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 2/20 0.52
RARB P10826 2/20 0.52
RARG P13631 1/20 0.52
PTGFR P43088 1/20 0.49
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
CPT2 P23786 2/20 0.44
CPT1A P50416 2/20 0.44
CPT1B Q92523 2/20 0.44
KMT2A Q03164 2/20 0.43
PKM P14618 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SNCA P37840 1/20 0.42
CYP1A2 P05177 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
GPR27 Q9NS67 1/20 0.42
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
FKBP5 Q13451 1/20 0.41

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
SCHEMBL9944099 0.88 RAB9A (0.50) NPC1RAB9ASMN1; SMN2KMT2APKM
SCHEMBL9944095 0.85 RARA (0.52) RARARARBRARGPTGFRNPC1
SCHEMBL9944151 0.83 MAPT (0.53) RARARARBRARGPTGFRNPC1
SCHEMBL9944087 0.83 RAB9A (0.52) NPC1RAB9ASMN1; SMN2KMT2APKM
SCHEMBL9944085 0.81 NPC1 (0.57) RARARARBRARGNPC1RAB9A
SCHEMBL9944093 0.78 RARA (0.52) RARARARBRARGPTGFRNPC1
SCHEMBL18123228 0.77 RARA (0.72) RARARARBRARGPTGFRNPC1
SCHEMBL9944146 0.76 TAS1R3 (0.54) RARARARBRARGNPC1RAB9A
SCHEMBL9944119 0.76 KMT2A (0.52) NPC1RAB9ASMN1; SMN2KMT2APKM
SCHEMBL22871345 0.76 RARA (0.55) RARARARBRARGPTGFRNPC1

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 RARA 1/4885RARB 2/4885RARG 3/4885
US-20160039747-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use RARA, RARB, RARG RARA 1/4885RARB 2/4885RARG 3/4885

“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.