SCHEMBL9944305

SCHEMBL9944305

COc1c(Cl)cc(C(=O)Nc2ccc(C=O)cc2)cc1C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.57
LMNA P02545 3/20 0.57
GAA P10253 3/20 0.57
TAS1R3 Q7RTX0 3/20 0.57
TAS1R1 Q7RTX1 3/20 0.57
TAS1R2 Q8TE23 3/20 0.57
RAB9A P51151 3/20 0.48
TMPRSS4 Q9NRS4 1/20 0.47
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
ABCB1 P08183 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HTT P42858 2/20 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
SCHEMBL9944276 0.89 MAPT (0.47) MAPTLMNAGAATAS1R3TAS1R1
SCHEMBL9944298 0.89 MAPT (0.47) MAPTLMNAGAATAS1R3TAS1R1
SCHEMBL1458012 0.86 LMNA (0.60) MAPTLMNAGAATAS1R3TAS1R1
SCHEMBL9944309 0.85 MAPT (0.56) MAPTLMNAGAATAS1R3TAS1R1
SCHEMBL9944274 0.84 LMNA (0.43) MAPTLMNAGAATAS1R3TAS1R1
SCHEMBL9944286 0.83 LMNA (0.42) MAPTLMNAGAATAS1R3TAS1R1
SCHEMBL9944278 0.80 TAS1R3 (0.53) MAPTLMNAGAATAS1R3TAS1R1
SCHEMBL9944285 0.80 TAS1R3 (0.57) MAPTLMNAGAATAS1R3TAS1R1
SCHEMBL1459323 0.79 LMNA (0.57) MAPTLMNAGAATAS1R3TAS1R1
SCHEMBL1459204 0.79 MAPT (0.57) MAPTLMNAGAATAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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

“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.