SCHEMBL9944076

SCHEMBL9944076

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.50
NPC1 O15118 4/20 0.50
MAPT P10636 3/20 0.50
PLAU P00749 1/20 0.48
TAS1R3 Q7RTX0 2/20 0.48
TAS1R1 Q7RTX1 2/20 0.48
TAS1R2 Q8TE23 2/20 0.48
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
ALDH1A1 P00352 3/20 0.47
LMNA P02545 2/20 0.47
HPGD P15428 2/20 0.47
HTT P42858 1/20 0.47
NR1H4 Q96RI1 2/20 0.46
ALOX12 P18054 1/20 0.46
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46
TP53 P04637 1/20 0.46
ABL1 P00519 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL9944084 0.95 RAB9A (0.51) RAB9ANPC1MAPTPLAUTAS1R3
SCHEMBL1457587 0.93 RAB9A (0.47) RAB9ANPC1MAPTPLAUTAS1R3
SCHEMBL1458621 0.92 PLAU (0.47) RAB9ANPC1MAPTPLAUTAS1R3
SCHEMBL9944164 0.91 PLAU (0.49) RAB9ANPC1MAPTPLAUTAS1R3
SCHEMBL1458186 0.89 MAPT (0.47) RAB9ANPC1MAPTPLAUTAS1R3
SCHEMBL1457780 0.89 TAS1R3 (0.51) RAB9ANPC1MAPTPLAUTAS1R3
SCHEMBL1457840 0.88 ALDH1A1 (0.53) RAB9ANPC1MAPTPLAUKMT2A
SCHEMBL9944102 0.88 NPC1 (0.48) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL1457759 0.88 TAS1R3 (0.64) RAB9ANPC1MAPTTAS1R3TAS1R1
SCHEMBL1458469 0.87 NPC1 (0.47) RAB9ANPC1MAPTKMT2AMEN1

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 7 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
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

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 277/4885MAPT 150/4885
US-20160039747-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use RARA, RARB, RARG RAB9A 271/4885NPC1 277/4885MAPT 150/4885

“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.