SCHEMBL9944333

SCHEMBL9944333

CCOc1cc(C(=O)Nc2ccc(C)c(C)c2)cc(OCC)c1Br

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.53
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.53
FKBP5 Q13451 1/20 0.52
MAPK14 Q16539 1/20 0.52
RAB9A P51151 4/20 0.51
NPC1 O15118 3/20 0.51
GAA P10253 2/20 0.51
TP53 P04637 3/20 0.50
SMN1; SMN2 Q16637 5/20 0.48
POLB P06746 4/20 0.48
HPSE Q9Y251 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
CASP1 P29466 1/20 0.46

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
SCHEMBL9944241 0.89 MAPT (0.51) MAPTKMT2AMEN1MAPK14RAB9A
SCHEMBL9944337 0.88 MAPT (0.60) MAPTKMT2AMEN1RAB9ANPC1
SCHEMBL1459379 0.88 MAPT (0.53) MAPTKMT2AMEN1MAPK14RAB9A
SCHEMBL1457774 0.83 MEN1 (0.62) MAPTKMT2AMEN1RAB9ANPC1
SCHEMBL9944240 0.83 MAPT (0.58) MAPTKMT2AMEN1RAB9ANPC1
SCHEMBL2917616 0.78 FKBP5 (0.73) MAPTKMT2AMEN1FKBP5RAB9A
SCHEMBL9944189 0.73 MAPT (0.54) MAPTKMT2AMEN1RAB9ANPC1
SCHEMBL823156 0.73 RAB9A (0.75) MAPTKMT2AMEN1FKBP5RAB9A
SCHEMBL1458178 0.73 MAPT (0.56) MAPTKMT2AMEN1RAB9ANPC1
SCHEMBL19799106 0.73 TP53 (0.54) MAPTKMT2AMEN1MAPK14RAB9A

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 2 patents. 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
WO-2011027106-A1 THERAPEUTIC ARYL-AM I DO-ARYL COMPOUNDS AND THEIR USE KING'S COLLEGE LONDON (GB) 2011-03-10 WO 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 150/4885KMT2A 1418/4885MEN1 4809/4885

“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.