SCHEMBL9944119

SCHEMBL9944119

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

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
RAB9A P51151 4/20 0.52
NPC1 O15118 3/20 0.52
CYP1A2 P05177 1/20 0.51
TDP1 Q9NUW8 2/20 0.51
NR1H4 Q96RI1 5/20 0.50
FKBP5 Q13451 1/20 0.50
PKM P14618 1/20 0.49
SORT1 Q99523 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 2/20 0.45
MEN1 O00255 2/20 0.45
MAPT P10636 2/20 0.45
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
POLB P06746 1/20 0.44

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 0.87 RAB9A (0.50) KMT2ARAB9ANPC1CYP1A2TDP1
SCHEMBL9944087 0.87 RAB9A (0.52) KMT2ARAB9ANPC1CYP1A2TDP1
SCHEMBL9944115 0.86 KMT2A (0.58) KMT2ARAB9ANPC1CYP1A2TDP1
SCHEMBL1459226 0.83 NR1H4 (0.46) KMT2ARAB9ANPC1CYP1A2TDP1
SCHEMBL1459379 0.82 MAPT (0.53) KMT2ARAB9ANPC1TDP1SMN1; SMN2
SCHEMBL9944083 0.82 NPC1 (0.50) KMT2ARAB9ANPC1CYP1A2TDP1
SCHEMBL9944088 0.81 NPC1 (0.53) KMT2ARAB9ANPC1CYP1A2TDP1
SCHEMBL1458488 0.80 RAB9A (0.49) KMT2ARAB9ANPC1CYP1A2TDP1
SCHEMBL9944150 0.80 MAPT (0.54) KMT2ARAB9ANPC1TDP1NR1H4
SCHEMBL1458178 0.79 MAPT (0.56) KMT2ARAB9ANPC1NR1H4SMN1; SMN2

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 KMT2A 1418/4885RAB9A 271/4885NPC1 277/4885
US-20160039747-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use RARA, RARB, RARG KMT2A 1418/4885RAB9A 271/4885NPC1 277/4885

“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.