SCHEMBL9944150

SCHEMBL9944150

CCOc1c(C)cc(C(=O)Nc2ccc(C(=O)O)c(C)c2)cc1Br

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.54
KMT2A Q03164 7/20 0.54
MEN1 O00255 6/20 0.54
P4HTM Q9NXG6 2/20 0.49
RAB9A P51151 3/20 0.47
NPC1 O15118 3/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
TP53 P04637 4/20 0.47
NR1H4 Q96RI1 1/20 0.46
ALDH1A1 P00352 4/20 0.45
LMNA P02545 2/20 0.45
GAA P10253 2/20 0.45
ABL1 P00519 1/20 0.45
HPGD P15428 1/20 0.45
RIN1 Q13671 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
RXFP1 Q9HBX9 1/20 0.44
POLB P06746 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44

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
SCHEMBL1458178 0.95 MAPT (0.56) MAPTKMT2AMEN1P4HTMRAB9A
SCHEMBL9944208 0.92 MAPT (0.52) MAPTKMT2AMEN1P4HTMRAB9A
SCHEMBL9944151 0.90 MAPT (0.53) MAPTKMT2AMEN1P4HTMRAB9A
SCHEMBL9944137 0.90 MAPT (0.60) MAPTKMT2AMEN1P4HTMRAB9A
SCHEMBL1457726 0.87 MAPT (0.54) MAPTKMT2AMEN1P4HTMRAB9A
SCHEMBL9944189 0.87 MAPT (0.54) MAPTKMT2AMEN1P4HTMRAB9A
SCHEMBL9944139 0.86 RAB9A (0.61) MAPTKMT2AMEN1P4HTMRAB9A
SCHEMBL12825343 0.85 MAPT (0.50) MAPTKMT2AMEN1P4HTMRAB9A
SCHEMBL9944181 0.85 SMN1; SMN2 (0.62) MAPTKMT2AMEN1P4HTMRAB9A
SCHEMBL9944207 0.84 KMT2A (0.53) MAPTKMT2AMEN1RAB9ANPC1

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