SCHEMBL9944241

SCHEMBL9944241

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

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.51
SMN1; SMN2 Q16637 6/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
TP53 P04637 3/20 0.51
MAPK14 Q16539 1/20 0.49
HDAC8 Q9BY41 2/20 0.49
GAA P10253 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
CASP1 P29466 1/20 0.48
CREBBP Q92793 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
POLB P06746 3/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
KDM4E B2RXH2 1/20 0.46
HTT P42858 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
SCHEMBL1459379 0.92 MAPT (0.53) MAPTSMN1; SMN2MEN1KMT2ATP53
SCHEMBL9944333 0.89 MAPT (0.53) MAPTSMN1; SMN2MEN1KMT2ATP53
SCHEMBL9944240 0.87 MAPT (0.58) MAPTSMN1; SMN2MEN1KMT2ATP53
SCHEMBL9944189 0.85 MAPT (0.54) MAPTSMN1; SMN2MEN1KMT2ATP53
SCHEMBL9944337 0.84 MAPT (0.60) MAPTSMN1; SMN2MEN1KMT2ATP53
SCHEMBL9944244 0.84 RAB9A (0.47) MAPTSMN1; SMN2KMT2ATP53MAPK14
SCHEMBL9944208 0.83 MAPT (0.52) MAPTSMN1; SMN2MEN1KMT2ATP53
SCHEMBL1457774 0.82 MEN1 (0.62) MAPTSMN1; SMN2MEN1KMT2ATP53
SCHEMBL9944191 0.81 MEN1 (0.62) MAPTSMN1; SMN2MEN1KMT2ATP53
SCHEMBL9944249 0.80 KCNK3 (0.44) MAPTSMN1; SMN2MEN1KMT2ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9447028-B2 Therapeutic aryl-amido-aryl compounds and their use KING'S COLLEGE LONDON (GB) 2016-09-20 US disclosed
US-20160039747-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use KING'S COLLEGE LONDON (GB) 2016-02-11 US disclosed
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 (2 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 150/4885SMN1; SMN2 696/4885MEN1 4809/4885
US-20160039747-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use RARA, RARB, RARG MAPT 150/4885SMN1; SMN2 696/4885MEN1 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.