SCHEMBL9944328

SCHEMBL9944328

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HSP90AA1 P07900 1/20 0.43
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAPK1 P28482 1/20 0.42
ABCB1 P08183 1/20 0.41
NPC1 O15118 4/20 0.41
PLAU P00749 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
KCNK3 O14649 1/20 0.41
KCNK9 Q9NPC2 1/20 0.41
RORC P51449 1/20 0.40
FKBP5 Q13451 1/20 0.40
TOP1 P11387 1/20 0.39
MAPK14 Q16539 1/20 0.39
SMO Q99835 1/20 0.39

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
SCHEMBL9944342 0.87 MAPT (0.49) RAB9AALDH1A1MAPTKDM4EGAA
SCHEMBL9944332 0.85 RORC (0.45) RAB9AALDH1A1MAPTKDM4EGAA
SCHEMBL9944336 0.84 TP53 (0.51) ALDH1A1MAPTKDM4EGAAMAPK1
SCHEMBL9944244 0.83 RAB9A (0.47) RAB9AALDH1A1MAPTKDM4EHSP90AA1
SCHEMBL9944314 0.83 ABCB1 (0.48) RAB9AALDH1A1MAPTKDM4EMAPK1
SCHEMBL9944353 0.82 TAS1R3 (0.50) RAB9AALDH1A1MAPTKDM4EGAA
SCHEMBL1459226 0.82 NR1H4 (0.46) RAB9AALDH1A1MAPTKDM4EHSP90AA1
SCHEMBL9944283 0.81 PLAU (0.47) RAB9AMAPTKDM4ENPC1PLAU
SCHEMBL9944331 0.80 RAB9A (0.49) RAB9AALDH1A1MAPTKDM4EGAA
SCHEMBL9944304 0.78 MAPT (0.50) RAB9AALDH1A1MAPTKDM4EGAA

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 RAB9A 271/4885ALDH1A1 128/4885MAPT 150/4885

“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.