SCHEMBL9944240

SCHEMBL9944240

CCOc1cc(C(=O)Nc2ccc(C(C)=O)cc2)cc(OCC)c1Br

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.58
MEN1 O00255 5/20 0.58
KMT2A Q03164 5/20 0.58
GAA P10253 2/20 0.55
SMN1; SMN2 Q16637 8/20 0.53
RAB9A P51151 3/20 0.53
NPC1 O15118 2/20 0.53
TP53 P04637 2/20 0.52
KDM4E B2RXH2 3/20 0.52
HTT P42858 1/20 0.52
ALDH1A1 P00352 2/20 0.50
ALOX15 P16050 1/20 0.50
ALOX12 P18054 1/20 0.50
NR4A1 P22736 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
CYP1A2 P05177 1/20 0.50
POLB P06746 2/20 0.49

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
SCHEMBL1457774 0.89 MEN1 (0.62) MAPTMEN1KMT2AGAASMN1; SMN2
SCHEMBL9944337 0.89 MAPT (0.60) MAPTMEN1KMT2AGAASMN1; SMN2
SCHEMBL9944241 0.87 MAPT (0.51) MAPTMEN1KMT2AGAASMN1; SMN2
SCHEMBL9944195 0.84 MAPT (0.62) MAPTMEN1KMT2AGAASMN1; SMN2
SCHEMBL9944333 0.83 MAPT (0.53) MAPTMEN1KMT2AGAASMN1; SMN2
SCHEMBL9944247 0.82 RAB9A (0.55) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL1459379 0.81 MAPT (0.53) MAPTMEN1KMT2AGAASMN1; SMN2
SCHEMBL10111303 0.81 CREBBP (0.53) MEN1KMT2AGAASMN1; SMN2RAB9A
SCHEMBL9944181 0.80 SMN1; SMN2 (0.62) MAPTMEN1KMT2AGAASMN1; SMN2
SCHEMBL9944246 0.78 MEN1 (0.47) MAPTMEN1KMT2AGAASMN1; SMN2

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 150/4885MEN1 4809/4885KMT2A 1418/4885

“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.