SCHEMBL9944186

SCHEMBL9944186

CC(=O)c1ccc(NC(=O)c2cc(Br)c(OC(C)C)c(Br)c2)cc1C

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.53
NPC1 O15118 8/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MAPT P10636 4/20 0.50
ALDH1A1 P00352 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
KDM4E B2RXH2 1/20 0.50
HSP90AA1 P07900 1/20 0.50
GAA P10253 1/20 0.50
PKM P14618 1/20 0.45
KMT2A Q03164 6/20 0.43
TOP1 P11387 1/20 0.43
LMNA P02545 1/20 0.43
PLAU P00749 2/20 0.42
MEN1 O00255 5/20 0.42
FKBP5 Q13451 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL1458488 0.91 RAB9A (0.49) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL9944164 0.85 PLAU (0.49) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL9944244 0.85 RAB9A (0.47) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL9944189 0.84 MAPT (0.54) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL9944173 0.83 RORC (0.48) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL9944208 0.82 MAPT (0.52) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL9944193 0.81 RORC (0.49) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL9944210 0.80 PLAU (0.47) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL9944252 0.80 RORC (0.50) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL9944245 0.77 RORC (0.50) RAB9ANPC1SMN1; SMN2MAPTALDH1A1

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 RAB9A 271/4885NPC1 277/4885SMN1; SMN2 696/4885
US-20160039747-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use RARA, RARB, RARG RAB9A 271/4885NPC1 277/4885SMN1; SMN2 696/4885

“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.