SCHEMBL9944089

SCHEMBL9944089

Cc1c(Cl)cc(C(=O)Nc2ccc(C(=O)O)c(O)c2)cc1Cl

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.65
KMT2A Q03164 2/20 0.65
PYGL P06737 2/20 0.54
SIRT6 Q8N6T7 1/20 0.52
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
MAPT P10636 3/20 0.48
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 1/20 0.48
MAPK1 P28482 1/20 0.47
BCL2L1 Q07817 1/20 0.45
MCL1 Q07820 1/20 0.45
HSD17B10 Q99714 2/20 0.45
HPGD P15428 1/20 0.45
TP53 P04637 1/20 0.44
SORT1 Q99523 1/20 0.44
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL9944098 0.93 PKM (0.60) PKMKMT2APYGLSIRT6NPC1
SCHEMBL9944104 0.88 PKM (0.54) PKMKMT2APYGLSIRT6NPC1
SCHEMBL9944088 0.87 NPC1 (0.53) PKMKMT2ANPC1RAB9AMAPT
SCHEMBL9944149 0.84 KMT2A (0.55) PKMKMT2APYGLSIRT6NPC1
SCHEMBL9944077 0.83 MAPT (0.54) KMT2ANPC1RAB9AMAPTMEN1
SCHEMBL1458655 0.82 KMT2A (0.67) PKMKMT2APYGLSIRT6NPC1
SCHEMBL9944083 0.82 NPC1 (0.50) PKMKMT2ANPC1RAB9AMAPT
SCHEMBL30772317 0.82 KMT2A (0.87) PKMKMT2APYGLSIRT6MAPT
SCHEMBL27296254 0.82 KMT2A (0.87) PKMKMT2APYGLSIRT6MAPT
SCHEMBL9944109 0.82 KMT2A (0.47) PKMKMT2APYGLSIRT6NPC1

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 PKM 4030/4885KMT2A 1418/4885PYGL 4852/4885
US-20160039747-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use RARA, RARB, RARG PKM 4030/4885KMT2A 1418/4885PYGL 4852/4885

“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.