SCHEMBL1458412

SCHEMBL1458412

CCOc1c(Cl)cc(NC(=O)c2ccc(C(=O)O)cc2)cc1Cl

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.70
KMT2A Q03164 3/20 0.70
RAB9A P51151 3/20 0.70
NPC1 O15118 3/20 0.70
LMNA P02545 2/20 0.64
GAA P10253 2/20 0.64
TDP1 Q9NUW8 2/20 0.64
POLB P06746 1/20 0.64
MCL1 Q07820 1/20 0.64
ALDH1A1 P00352 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
HPGD P15428 2/20 0.60
ABL1 P00519 1/20 0.60
MAPT P10636 1/20 0.60
RIN1 Q13671 1/20 0.60
NFKB1 P19838 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
CYP1A2 P05177 3/20 0.55
KDM4E B2RXH2 2/20 0.55

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
SCHEMBL1458773 0.92 MEN1 (0.75) MEN1KMT2ARAB9ANPC1LMNA
SCHEMBL1458011 0.88 MEN1 (0.60) MEN1KMT2ARAB9ANPC1LMNA
SCHEMBL1458184 0.86 RAB9A (0.60) MEN1KMT2ARAB9ANPC1LMNA
SCHEMBL1457994 0.86 MEN1 (0.57) MEN1KMT2ARAB9ANPC1LMNA
SCHEMBL9944075 0.84 MEN1 (0.65) MEN1KMT2ARAB9ANPC1LMNA
SCHEMBL1457728 0.83 MEN1 (0.54) MEN1KMT2ARAB9ANPC1LMNA
SCHEMBL1459273 0.83 MEN1 (0.70) MEN1KMT2ARAB9ANPC1LMNA
SCHEMBL1458097 0.82 MEN1 (0.63) MEN1KMT2ARAB9ANPC1LMNA
SCHEMBL1457725 0.81 PLAU (0.62) MEN1KMT2ARAB9ANPC1LMNA
SCHEMBL1458061 0.81 RAB9A (0.67) MEN1KMT2ARAB9ANPC1LMNA

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 9 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-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
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 MEN1 4809/4885KMT2A 1418/4885RAB9A 271/4885
US-20160039747-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use RARA, RARB, RARG MEN1 4809/4885KMT2A 1418/4885RAB9A 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.