SCHEMBL9944077

SCHEMBL9944077

Cc1c(Cl)cc(C(=O)Nc2ccc(C(=O)O)c(C(F)(F)F)c2)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
LMNA P02545 3/20 0.54
GAA P10253 2/20 0.54
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
NPSR1 Q6W5P4 3/20 0.50
RAB9A P51151 2/20 0.50
HTT P42858 2/20 0.50
NPC1 O15118 1/20 0.50
KDR P35968 1/20 0.49
TMPRSS4 Q9NRS4 3/20 0.48
GRM4 Q14833 1/20 0.46
XBP1 P17861 1/20 0.46
BRAF P15056 1/20 0.45
KCNK3 O14649 1/20 0.45
KCNK9 Q9NPC2 1/20 0.45
STK39 Q9UEW8 1/20 0.45
PDK1 Q15118 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.45

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 0.84 NPC1 (0.53) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL1458162 0.83 RAB9A (0.64) MAPTLMNAGAAMEN1KMT2A
SCHEMBL9944089 0.83 PKM (0.65) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL1458065 0.82 BRAF (0.48) MAPTLMNAGAAMEN1KMT2A
SCHEMBL1459204 0.82 MAPT (0.57) MAPTLMNAGAAMEN1KMT2A
SCHEMBL1459323 0.79 LMNA (0.57) MAPTLMNAGAAMEN1KMT2A
SCHEMBL1458092 0.79 MAPT (0.57) MAPTLMNAGAAMEN1KMT2A
SCHEMBL9944083 0.79 NPC1 (0.50) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL9944095 0.79 RARA (0.52) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL1458186 0.78 MAPT (0.47) MAPTLMNAGAAMEN1KMT2A

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 150/4885LMNA 1825/4885GAA 149/4885
US-20160039747-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use RARA, RARB, RARG MAPT 150/4885LMNA 1825/4885GAA 149/4885

“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.