SCHEMBL1458488

SCHEMBL1458488

Cc1cc(NC(=O)c2cc(Br)c(OC(C)C)c(Br)c2)ccc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.49
MAPT P10636 3/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HSP90AA1 P07900 1/20 0.49
GAA P10253 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
NR1H4 Q96RI1 3/20 0.46
NPC1 O15118 6/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KMT2A Q03164 3/20 0.45
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
FKBP5 Q13451 1/20 0.43
PKM P14618 1/20 0.42
PLAU P00749 1/20 0.42
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
MEN1 O00255 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
SCHEMBL9944186 0.91 RAB9A (0.53) RAB9AMAPTKDM4EALDH1A1HSP90AA1
SCHEMBL1459226 0.85 NR1H4 (0.46) RAB9AMAPTKDM4EALDH1A1HSP90AA1
SCHEMBL9944076 0.85 RAB9A (0.50) RAB9AMAPTKDM4EALDH1A1GAA
SCHEMBL9944087 0.84 RAB9A (0.52) RAB9AMAPTKDM4EALDH1A1HSP90AA1
SCHEMBL1458178 0.84 MAPT (0.56) RAB9AMAPTKDM4EALDH1A1GAA
SCHEMBL9944091 0.84 NR1H4 (0.49) RAB9AMAPTALDH1A1NR1H4NPC1
SCHEMBL9944084 0.83 RAB9A (0.51) RAB9AMAPTKDM4EALDH1A1GAA
SCHEMBL9944150 0.82 MAPT (0.54) RAB9AMAPTKDM4EALDH1A1GAA
SCHEMBL9944099 0.82 RAB9A (0.50) RAB9AMAPTKDM4EALDH1A1HSP90AA1
SCHEMBL1457758 0.82 MEN1 (0.51) RAB9AMAPTKDM4EALDH1A1GAA

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 12 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-9447028-B2 Therapeutic aryl-amido-aryl compounds and their use KING'S COLLEGE LONDON (GB) 2016-09-20 US disclosed
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-20160039747-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use KING'S COLLEGE LONDON (GB) 2016-02-11 US disclosed
US-20160039747-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use KING'S COLLEGE LONDON (GB) 2016-02-11 US disclosed
EP-2473479-A1 THERAPEUTIC ARYL-AM I DO-ARYL COMPOUNDS AND THEIR USE King's College London (GB) 2012-07-11 EP disclosed
US-20120149737-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use KING'S COLLEGE LONDON (GB) 2012-06-14 US disclosed
US-20120149737-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use KING'S COLLEGE LONDON (GB) 2012-06-14 US disclosed
US-20120149737-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use KING'S COLLEGE LONDON (GB) 2012-06-14 US disclosed
WO-2011027106-A1 THERAPEUTIC ARYL-AM I DO-ARYL COMPOUNDS AND THEIR USE KING'S COLLEGE LONDON (GB) 2011-03-10 WO disclosed
WO-2011027106-A1 THERAPEUTIC ARYL-AM I DO-ARYL COMPOUNDS AND THEIR USE KING'S COLLEGE LONDON (GB) 2011-03-10 WO 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 271/4885MAPT 150/4885KDM4E 2548/4885
US-20160039747-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use RARA, RARB, RARG RAB9A 271/4885MAPT 150/4885KDM4E 2548/4885

“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.