SCHEMBL9944134

SCHEMBL9944134

Cc1c(Cl)cc(C(=O)Nc2ccc(C(=O)O)cc2)cc1Cl

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
KDM4E B2RXH2 2/20 0.54
PKM P14618 2/20 0.54
MITF O75030 1/20 0.54
MAPT P10636 1/20 0.54
FFAR1 O14842 1/20 0.53
BCAT2 O15382 1/20 0.53
TAS1R3 Q7RTX0 1/20 0.52
TAS1R1 Q7RTX1 1/20 0.52
TAS1R2 Q8TE23 1/20 0.52
CA12 O43570 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
CYP26A1 O43174 2/20 0.50
CYP3A4 P08684 2/20 0.50
RARA P10276 2/20 0.50
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL9944079 0.92 KMT2A (0.54) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL9944103 0.86 MAPT (0.50) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL9944088 0.85 NPC1 (0.53) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL1457716 0.83 TAS1R3 (0.76) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL6242641 0.82 MEN1 (0.81) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL9944112 0.82 MEN1 (0.49) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL9944136 0.82 TAS1R3 (0.65) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL1459180 0.81 MEN1 (0.64) MEN1KMT2AMITFFFAR1CPT2
SCHEMBL11732303 0.81 KMT2A (0.64) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL9944114 0.81 MEN1 (0.48) MEN1KMT2ANPC1RAB9APKM

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 MEN1 4809/4885KMT2A 1418/4885NPC1 277/4885
US-20160039747-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use RARA, RARB, RARG MEN1 4809/4885KMT2A 1418/4885NPC1 277/4885

“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.