SCHEMBL1748291

SCHEMBL1748291

CC(=O)c1cc(Cl)cc2c1OCO2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
NPSR1 Q6W5P4 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 5/20 0.41
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
HSD17B10 Q99714 2/20 0.39
TSHR P16473 2/20 0.39
TP53 P04637 2/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 2/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL1748557 0.86 KMT2A (0.46) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL8871624 0.84 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1NPC1RAB9AHSD17B10
SCHEMBL12467259 0.73 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1NPC1RAB9AMAPT
SCHEMBL25082789 0.72 AOC3 (0.42) KDM4ENPSR1SMN1; SMN2ALDH1A1NPC1
SCHEMBL12484333 0.72 NPC1 (0.37) SMN1; SMN2ALDH1A1NPC1RAB9AMEN1
SCHEMBL340356 0.71 KDM4E (0.44) KDM4ENPSR1SMN1; SMN2ALDH1A1NPC1
SCHEMBL11081166 0.71 AHR (0.47) SMN1; SMN2ALDH1A1NPC1RAB9AHSD17B10
SCHEMBL14747985 0.71 KDM4E (0.46) KDM4ENPSR1SMN1; SMN2ALDH1A1HSD17B10
SCHEMBL219830 0.71 HTR3A (0.50) KDM4ENPSR1ALDH1A1HSD17B10MAPT
SCHEMBL11262018 0.70 TDP1 (0.39) KDM4EALDH1A1NPC1RAB9AMAPT

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8604021-B2 Substituted arylamine compounds and methods of treatment BECKER OREN (IL) 2013-12-10 US disclosed
US-20120115850-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND METHODS OF TREATMENT BECKER OREN (IL) 2012-05-10 US disclosed
US-20120115850-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND METHODS OF TREATMENT BECKER OREN (IL) 2012-05-10 US disclosed
US-20120115850-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND METHODS OF TREATMENT BECKER OREN (IL) 2012-05-10 US disclosed
US-7968538-B2 Substituted arylamine compounds and methods of treatment GALENEA CORP. (US) 2011-06-28 US disclosed
US-7968538-B2 Substituted arylamine compounds and methods of treatment GALENEA CORP. (US) 2011-06-28 US disclosed
US-7968538-B2 Substituted arylamine compounds and methods of treatment GALENEA CORP. (US) 2011-06-28 US disclosed
EP-1856075-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND THEIR USE AS 5-HT6 MODULATORS Epix Delaware, Inc. (US) 2007-11-21 EP disclosed
US-20060205737-A1 Substituted arylamine compounds and methods of treatment GALENEA CORPORATION 2006-09-14 US disclosed
WO-2006081332-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND THEIR USE AS 5-HT6 MODULATORS EPIX DELAWARE, INC. (US) 2006-08-03 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-20120115850-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND METHODS OF TREATMENT HTR6, HTR2A, HTR3B KDM4E 1616/4885NPSR1 128/4885SMN1; SMN2 3858/4885
US-20060205737-A1 Substituted arylamine compounds and methods of treatment HTR6, HTR2A, HTR3B KDM4E 1616/4885NPSR1 128/4885SMN1; SMN2 3858/4885

“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.