SCHEMBL9944231

SCHEMBL9944231

CCOc1c(Cl)cc(C(=O)Nc2ccc(C(C)=O)c(C)c2)cc1OCC1CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
NPSR1 Q6W5P4 1/20 0.53
RAB9A P51151 5/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
NPC1 O15118 3/20 0.48
ALDH1A1 P00352 2/20 0.44
GAA P10253 3/20 0.43
TP53 P04637 3/20 0.43
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ABL1 P00519 1/20 0.43
HPGD P15428 1/20 0.43
RIN1 Q13671 1/20 0.43
NR1H4 Q96RI1 1/20 0.42
HTT P42858 1/20 0.42
PDE4B Q07343 3/20 0.42
CASP3 P42574 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
NFKB1 P19838 1/20 0.42

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
SCHEMBL1458652 0.94 RAB9A (0.52) MAPTNPSR1RAB9AMEN1KMT2A
SCHEMBL9944225 0.91 MAPT (0.51) MAPTNPSR1RAB9AMEN1KMT2A
SCHEMBL9944224 0.90 MAPT (0.52) MAPTNPSR1RAB9AMEN1KMT2A
SCHEMBL9944354 0.87 MAPT (0.49) MAPTNPSR1RAB9AMEN1KMT2A
SCHEMBL1458529 0.86 MEN1 (0.56) MAPTNPSR1RAB9AMEN1KMT2A
SCHEMBL9944220 0.86 MAPT (0.53) MAPTNPSR1RAB9AMEN1KMT2A
SCHEMBL9944233 0.86 MAPT (0.50) MAPTNPSR1RAB9AMEN1KMT2A
SCHEMBL1458143 0.86 KMT2A (0.52) MAPTNPSR1RAB9AMEN1KMT2A
SCHEMBL9944191 0.86 MEN1 (0.62) MAPTNPSR1RAB9AMEN1KMT2A
SCHEMBL9944218 0.84 MAPT (0.52) MAPTNPSR1RAB9AMEN1KMT2A

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 150/4885NPSR1 826/4885RAB9A 271/4885
US-20160039747-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use RARA, RARB, RARG MAPT 150/4885NPSR1 826/4885RAB9A 271/4885

“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.