SCHEMBL3236266

SCHEMBL3236266

O=C(O)c1c(Cl)ccc(C(F)(F)F)c1Cl

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CLCN2 P51788 1/20 0.50
DPP4 P27487 1/20 0.48
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KDR P35968 1/20 0.42
KMO O15229 2/20 0.40
DAO P14920 1/20 0.40
NOTUM Q6P988 4/20 0.39
PDK1 Q15118 1/20 0.38
TYK2 P29597 1/20 0.38
MRGPRX4 Q96LA9 2/20 0.38
HPGD P15428 1/20 0.37
ANO1 Q5XXA6 1/20 0.36
MEP1B Q16820 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
RORC P51449 1/20 0.36

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
Hydrochloric Acid SCHEMBL3583525 0.98 CLCN2 (0.49) CLCN2DPP4ALDH1A1KDM4EHSD17B10
SCHEMBL3583523 0.85 ALDH1A1 (0.47) CLCN2DPP4ALDH1A1KDRKMO
SCHEMBL979367 0.85 CLCN2 (0.47) CLCN2DPP4ALDH1A1KDM4EHSD17B10
SCHEMBL6728532 0.83 DPP4 (0.47) CLCN2DPP4ALDH1A1KDM4EHSD17B10
SCHEMBL22208595 0.83 CLCN2 (0.42) CLCN2DPP4ALDH1A1KDRKMO
SCHEMBL23832862 0.81 CLCN2 (0.41) CLCN2DPP4ALDH1A1KMODAO
SCHEMBL7927678 0.81 DPP4 (0.44) CLCN2DPP4ALDH1A1KDM4EHSD17B10
SCHEMBL784920 0.77 TYK2 (0.55) DPP4ALDH1A1TYK2RORC
2,3,6-Trichlorobenzoic Acid SCHEMBL29365114 0.77 DPP4 (0.62) DPP4ALDH1A1KDM4EHSD17B10NOTUM
2,3,6-Trichlorobenzoic Acid SCHEMBL117071 0.77 DPP4 (0.62) DPP4ALDH1A1KDM4EHSD17B10NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513246-B2 Use of N-heterocyclylmethylbenzamides in therapeutics SANOFI (FR) 2013-08-20 US disclosed
US-7745642-B2 Glycine transport inhibitors GLAXO GROUP LIMITED (GB) 2010-06-29 US disclosed
US-20100022548-A1 USE OF N-HETEROCYCLYLMETHYLBENZAMIDES IN THERAPEUTICS SANOFI-AVENTIS (FR) 2010-01-28 US disclosed
US-7619089-B2 Derivatives of N-heterocyclylmethylbenzamides, preparation method thereof and application of same in therapeutics SANOFI-AVENTIS (FR) 2009-11-17 US disclosed
US-20090270510-A1 GLYCINE TRANSPORT INHIBITORS GLAXO GROUP LIMITED (GB) 2009-10-29 US disclosed
EP-1838663-B1 GLYCINE TRANSPORT INHIBITORS GLAXO GROUP LTD (GB) 2009-01-21 EP disclosed
US-20080287547-A1 Glycine Transport Inhibitors GLAXO GROUP LIMITED (GB) 2008-11-20 US disclosed
US-20080070941-A1 DERIVATIVES OF N-HETEROCYCLYLMETHYLBENZAMIDES, PREPARATION METHOD THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2008-03-20 US disclosed
US-7288656-B2 Derivatives of N-heterocyclylmethylbenzamides, preparation method thereof and application of same in therapeutics SANOFI-AVENTIS (FR) 2007-10-30 US disclosed
EP-1841727-A1 GLYCINE TRANSPORT INHIBITORS GLAXO GROUP LIMITED (GB) 2007-10-10 EP disclosed
EP-1838663-A1 GLYCINE TRANSPORT INHIBITORS GLAXO GROUP LIMITED (GB) 2007-10-03 EP disclosed
US-20060264441-A1 Derivatives of N-heterocyclylmethylbenzamides, prepartion method thereof and application of same in therapeutics SANOFI-AVENTIS (FR) 2006-11-23 US disclosed
WO-2006067423-A1 GLYCINE TRANSPORT INHIBITORS GLAXO GROUP LIMITED (GB) 2006-06-29 WO disclosed
WO-2006067417-A1 GLYCINE TRANSPORT INHIBITORS GLAXO GROUP LIMITED (GB) 2006-06-29 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 (5 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-20100022548-A1 USE OF N-HETEROCYCLYLMETHYLBENZAMIDES IN THERAPEUTICS NMBR, EGLN2, KRAS CLCN2 1163/4885DPP4 3571/4885ALDH1A1 876/4885
US-20090270510-A1 GLYCINE TRANSPORT INHIBITORS SLC18A2, SLC6A5, SLC1A2 CLCN2 960/4885DPP4 589/4885ALDH1A1 1358/4885
US-20080070941-A1 DERIVATIVES OF N-HETEROCYCLYLMETHYLBENZAMIDES, PREPARATION METHOD THEREOF AND APPLICATION OF SAME IN THERAPEUTICS HNMT, CCKBR, CNR2 CLCN2 2971/4885DPP4 4494/4885ALDH1A1 544/4885
US-20060264441-A1 Derivatives of N-heterocyclylmethylbenzamides, prepartion method thereof and application of same in therapeutics HNMT, CCKBR, CNR2 CLCN2 3627/4885DPP4 4038/4885ALDH1A1 613/4885
US-20080287547-A1 Glycine Transport Inhibitors SLC18A2, SLC6A5, SLC1A2 CLCN2 870/4885DPP4 565/4885ALDH1A1 1356/4885

“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.