SCHEMBL9944349

SCHEMBL9944349

CCOc1c(Br)cc(C(=O)Nc2ccc(C=O)c(C)c2)cc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 0.50
KMT2A Q03164 6/20 0.50
MEN1 O00255 5/20 0.50
HTT P42858 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
LMNA P02545 4/20 0.47
XBP1 P17861 1/20 0.47
SMN1; SMN2 Q16637 6/20 0.44
ALDH1A1 P00352 3/20 0.42
GAA P10253 2/20 0.42
TP53 P04637 4/20 0.42
KDM4E B2RXH2 2/20 0.40
POLB P06746 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40

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
SCHEMBL9944277 0.90 MAPT (0.51) MAPTKMT2AMEN1HTTNPSR1
SCHEMBL9944302 0.88 MEN1 (0.49) MAPTKMT2AMEN1HTTNPSR1
SCHEMBL9944279 0.86 MAPT (0.53) MAPTKMT2AMEN1HTTNPSR1
SCHEMBL1457726 0.85 MAPT (0.54) MAPTKMT2AMEN1HTTNPSR1
SCHEMBL1458150 0.81 MAPT (0.56) MAPTKMT2AMEN1HTTNPSR1
SCHEMBL1458118 0.79 MAPT (0.50) MAPTKMT2AMEN1HTTNPSR1
SCHEMBL9944309 0.79 MAPT (0.56) MAPTKMT2AMEN1HTTNPSR1
SCHEMBL12825321 0.78 RAB9A (0.55) MAPTKMT2AMEN1HTTNPSR1
SCHEMBL9944325 0.77 MAPT (0.47) MAPTKMT2AMEN1HTTNPSR1
SCHEMBL9944282 0.77 MAPT (0.47) MAPTKMT2AMEN1HTTNPSR1

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 150/4885KMT2A 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.