SCHEMBL544359

SCHEMBL544359

O=C(NCCC1CCN(C(=O)O)CC1)Nc1nc2ccc(OS(=O)(=O)c3c(Cl)cccc3Cl)cc2s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 2/20 0.47
GHSR Q92847 2/20 0.45
MAPT P10636 6/20 0.45
LMNA P02545 4/20 0.45
HTT P42858 3/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
CLK1 P49759 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 6/20 0.44
MEN1 O00255 4/20 0.44
POLB P06746 3/20 0.44
PKM P14618 1/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
MAPK1 P28482 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
ALDH1A1 P00352 2/20 0.42

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
SCHEMBL544212 0.91 MAPT (0.46) LCKGHSRMAPTLMNAHTT
SCHEMBL544681 0.90 CHRM4 (0.51) LCK
SCHEMBL545002 0.89 SMN1; SMN2 (0.46) MAPTLMNAHTTSMN1; SMN2CLK1
SCHEMBL543917 0.88 GHSR (0.47) LCKGHSRMAPTLMNAHTT
SCHEMBL545080 0.88 DRD2 (0.45) MAPTLMNAHTTSMN1; SMN2CLK1
SCHEMBL545077 0.88 ABL1 (0.49) LCKGHSRMAPTSMN1; SMN2CYP3A4
SCHEMBL544433 0.84 LCK (0.66) LCKGHSRMAPTLMNAHTT
SCHEMBL544033 0.83 GHSR (0.52) LCKGHSRMAPTLMNASMN1; SMN2
SCHEMBL543982 0.82 GHSR (0.51) LCKGHSRMAPTSMN1; SMN2KMT2A
SCHEMBL543827 0.82 GHSR (0.51) LCKGHSRMAPTSMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8110571-B2 Tyrosine kinase inhibitors; antiproliferation agents; metabolism diseases; antiallergens; central nervous system disorders; vision and skin disorders; antiarthritic agents AVENTIS PHARMA S.A. (FR) 2012-02-07 US disclosed
US-20080194555-A1 Novel Benzimidazole and Benzothiazole Derivatives, Method for Preparing Same, Use Thereof as Drugs, Pharmaceutical Compositions and Novel Use Especially as c-MET Inhibitors AVENTIS PHARMA S.A. (FR) 2008-08-14 US disclosed
EP-1934187-A1 NOVEL BENZIMIDAZOLE AND BENZOTHIAZOLE DERIVATIVES, METHOD FOR PREPARING SAME, USE THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS AND NOVEL USE IN PARTICULAR AS C-MET INHIBITORS Aventis Pharma S.A. (FR) 2008-06-25 EP disclosed
WO-2007036630-A1 NOVEL BENZIMIDAZOLE AND BENZOTHIAZOLE DERIVATIVES, METHOD FOR PREPARING SAME, USE THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS AND NOVEL USE IN PARTICULAR AS C-MET INHIBITORS AVENTIS PHARMA S.A. (FR) 2007-04-05 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 (1 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-20080194555-A1 Novel Benzimidazole and Benzothiazole Derivatives, Method for Preparing Same, Use Thereof as Drugs, Pharmaceutical Compositions and Novel Use Especially as c-MET Inhibitors MET, KIT, MERTK LCK 503/4885GHSR 1821/4885MAPT 1307/4885

“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.