SCHEMBL9944137

SCHEMBL9944137

CCOc1c(C)cc(C(=O)Nc2ccc(C(=O)O)cc2)cc1Br

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.60
MEN1 O00255 5/20 0.60
KMT2A Q03164 5/20 0.60
P4HTM Q9NXG6 3/20 0.52
TP53 P04637 3/20 0.51
NPC1 O15118 6/20 0.50
RAB9A P51151 4/20 0.50
SMN1; SMN2 Q16637 9/20 0.49
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 3/20 0.49
GAA P10253 3/20 0.49
CYP1A2 P05177 1/20 0.49
POLB P06746 1/20 0.48
HTT P42858 1/20 0.48
LMNA P02545 1/20 0.47
ALOX15 P16050 1/20 0.47
ALOX12 P18054 1/20 0.47
NR4A1 P22736 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL1459236 0.92 MEN1 (0.65) MAPTMEN1KMT2AP4HTMTP53
SCHEMBL9944181 0.90 SMN1; SMN2 (0.62) MAPTMEN1KMT2AP4HTMTP53
SCHEMBL9944150 0.90 MAPT (0.54) MAPTMEN1KMT2AP4HTMTP53
SCHEMBL9944208 0.86 MAPT (0.52) MAPTMEN1KMT2AP4HTMTP53
SCHEMBL9944075 0.85 MEN1 (0.65) MAPTMEN1KMT2AP4HTMTP53
SCHEMBL1457994 0.84 MEN1 (0.57) MAPTMEN1KMT2AP4HTMTP53
SCHEMBL1458178 0.84 MAPT (0.56) MAPTMEN1KMT2AP4HTMTP53
SCHEMBL4195281 0.84 MAPT (0.54) MAPTMEN1KMT2AP4HTMTP53
SCHEMBL9944151 0.84 MAPT (0.53) MAPTMEN1KMT2AP4HTMTP53
SCHEMBL29843945 0.84 MAPT (0.54) MAPTMEN1KMT2AP4HTMTP53

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 150/4885MEN1 4809/4885KMT2A 1418/4885
US-20160039747-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.