SCHEMBL1748844

SCHEMBL1748844

COc1c(O)ccc(C(=O)Cl)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
CYP3A4 P08684 2/20 0.41
MAPK1 P28482 2/20 0.41
MAPT P10636 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
TPMT P51580 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
P2RX1 P51575 1/20 0.38
CA1 P00915 2/20 0.38
CA12 O43570 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA13 Q8N1Q1 1/20 0.38
CA2 P00918 1/20 0.37
LMNA P02545 2/20 0.37
CYP1A2 P05177 2/20 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
SCHEMBL6924772 0.85 TDP1 (0.51) ALDH1A1HPGDMAPTTDP1TPMT
SCHEMBL11281015 0.81 ALDH1A1 (0.38) RAB9ANPC1ALDH1A1HPGDCYP3A4
SCHEMBL7032033 0.81 MAPT (0.51) RAB9ANPC1MAPK1MAPTTDP1
SCHEMBL27189281 0.80 ALDH1A1 (0.41) RAB9ANPC1ALDH1A1HPGDMAPT
SCHEMBL28770764 0.78 HTR2A (0.40) RAB9ANPC1MAPTTDP1TPMT
SCHEMBL9239540 0.78 LMNA (0.56) RAB9ANPC1ALDH1A1HPGDCYP3A4
SCHEMBL70469 0.78 CYP3A4 (0.44) ALDH1A1HPGDCYP3A4MAPK1MAPT
SCHEMBL29997568 0.78 TDP1 (0.44) RAB9ANPC1ALDH1A1HPGDCYP3A4
SCHEMBL2202238 0.78 TDP1 (0.44) RAB9ANPC1ALDH1A1HPGDCYP3A4
SCHEMBL9174235 0.76 L3MBTL1 (0.38) ALDH1A1HPGDMAPTKDM4EHSD17B10

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 6 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-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 RAB9A 2608/4885NPC1 2713/4885ALDH1A1 1488/4885
US-20060205737-A1 Substituted arylamine compounds and methods of treatment HTR6, HTR2A, HTR3B RAB9A 2608/4885NPC1 2713/4885ALDH1A1 1488/4885

“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.