SCHEMBL1748557

SCHEMBL1748557

CC(=O)c1cc(Cl)cc2c1OCCO2

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
KDM4E B2RXH2 7/20 0.45
HSD17B10 Q99714 4/20 0.45
ALDH1A1 P00352 4/20 0.45
ALOX15 P16050 1/20 0.45
USP2 O75604 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 1/20 0.41
MAOB P27338 3/20 0.40
NPC1 O15118 3/20 0.39
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAOA P21397 1/20 0.38
RAB9A P51151 2/20 0.38
POLB P06746 1/20 0.38
PLK1 P53350 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
SCHEMBL1748291 0.86 KDM4E (0.43) KMT2AMEN1KDM4EHSD17B10ALDH1A1
SCHEMBL3164382 0.84 AKR1C4 (0.43) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL11262018 0.84 TDP1 (0.39) KMT2AMEN1KDM4EALDH1A1MAOB
SCHEMBL27703748 0.82 KDM4E (0.52) KMT2AMEN1KDM4EHSD17B10ALDH1A1
SCHEMBL14161554 0.82 MEN1 (0.49) KMT2AMEN1KDM4EHSD17B10ALDH1A1
SCHEMBL855752 0.78 SMN1; SMN2 (0.50) KMT2AMEN1KDM4EHSD17B10ALDH1A1
SCHEMBL219830 0.78 HTR3A (0.50) KMT2AMEN1KDM4EHSD17B10ALDH1A1
SCHEMBL857117 0.76 ALDH1A1 (0.47) KMT2AMEN1KDM4EALDH1A1SMN1; SMN2
SCHEMBL14161482 0.74 KDM4E (0.41) KMT2AMEN1KDM4EHSD17B10ALDH1A1
SCHEMBL14161498 0.73 MAOB (0.40) KMT2AMEN1KDM4EHSD17B10ALDH1A1

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 KMT2A 609/4885MEN1 3832/4885KDM4E 1616/4885
US-20060205737-A1 Substituted arylamine compounds and methods of treatment HTR6, HTR2A, HTR3B KMT2A 609/4885MEN1 3832/4885KDM4E 1616/4885

“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.