SCHEMBL3583523

SCHEMBL3583523

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
CLCN2 P51788 1/20 0.43
KDR P35968 1/20 0.42
PDK1 Q15118 1/20 0.38
TYK2 P29597 1/20 0.38
DPP4 P27487 1/20 0.35
CES2 O00748 1/20 0.35
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
HTR3A P46098 1/20 0.35
HTR3D Q70Z44 1/20 0.35
HTR3C Q8WXA8 1/20 0.35
KMO O15229 2/20 0.34
CTSS P25774 1/20 0.34
GRM4 Q14833 1/20 0.34
NOTUM Q6P988 3/20 0.33
TRPV1 Q8NER1 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33

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
SCHEMBL7926464 0.85 KDR (0.42) ALDH1A1CLCN2KDRPDK1TYK2
SCHEMBL3236266 0.85 CLCN2 (0.50) ALDH1A1CLCN2KDRPDK1TYK2
Hydrochloric Acid SCHEMBL3583525 0.83 CLCN2 (0.49) ALDH1A1CLCN2KDRPDK1TYK2
SCHEMBL927178 0.81 KDR (0.42) ALDH1A1CLCN2KDRPDK1TYK2
SCHEMBL21866058 0.81 ALDH1A1 (0.47) ALDH1A1DPP4CA2KMT2ANPSR1
SCHEMBL4536908 0.77 ALDH1A1 (0.63) ALDH1A1TYK2MEN1KMT2ANPSR1
SCHEMBL1313390 0.77 ALDH1A1 (0.61) ALDH1A1DPP4NOTUMMEN1HTT
SCHEMBL28172626 0.76 KCNQ3 (0.37) ALDH1A1CLCN2KDRTYK2CES2
SCHEMBL10605032 0.74 CLCN2 (0.41) ALDH1A1CLCN2KDRCES2CTSS
SCHEMBL8675762 0.74 ALDH1A1 (0.52) ALDH1A1DPP4CES2P2RX7

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-8513246-B2 Use of N-heterocyclylmethylbenzamides in therapeutics SANOFI (FR) 2013-08-20 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-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
US-20060264441-A1 Derivatives of N-heterocyclylmethylbenzamides, prepartion method thereof and application of same in therapeutics SANOFI-AVENTIS (FR) 2006-11-23 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 (3 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 ALDH1A1 876/4885CLCN2 1163/4885KDR 1082/4885
US-20080070941-A1 DERIVATIVES OF N-HETEROCYCLYLMETHYLBENZAMIDES, PREPARATION METHOD THEREOF AND APPLICATION OF SAME IN THERAPEUTICS HNMT, CCKBR, CNR2 ALDH1A1 544/4885CLCN2 2971/4885KDR 2067/4885
US-20060264441-A1 Derivatives of N-heterocyclylmethylbenzamides, prepartion method thereof and application of same in therapeutics HNMT, CCKBR, CNR2 ALDH1A1 613/4885CLCN2 3627/4885KDR 3036/4885

“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.