SCHEMBL545002

SCHEMBL545002

O=C(CCC1CCN(C(=O)O)CC1)Nc1nc2ccc(OS(=O)(=O)c3c(Cl)cccc3Cl)cc2s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.46
MAPT P10636 3/20 0.46
PKM P14618 1/20 0.46
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
CSNK1D P48730 3/20 0.46
HTT P42858 3/20 0.46
LMNA P02545 3/20 0.46
USP30 Q70CQ3 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
CLK1 P49759 1/20 0.45
KMT2A Q03164 4/20 0.45
NPC1 O15118 3/20 0.45
MEN1 O00255 3/20 0.45
POLB P06746 1/20 0.45
RAB9A P51151 2/20 0.44
TSHR P16473 1/20 0.44
CASP2 P42575 1/20 0.43

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
SCHEMBL545080 0.95 DRD2 (0.45) SMN1; SMN2MAPTPKMGSK3AGSK3B
SCHEMBL544666 0.90 MAPT (0.47) SMN1; SMN2MAPTPKMGSK3AGSK3B
SCHEMBL544359 0.89 LCK (0.47) SMN1; SMN2MAPTPKMGSK3AGSK3B
SCHEMBL544713 0.88 SMN1; SMN2 (0.48) SMN1; SMN2MAPTPKMGSK3AGSK3B
SCHEMBL544131 0.86 SMN1; SMN2 (0.46) SMN1; SMN2MAPTPKMGSK3AGSK3B
SCHEMBL544222 0.83 SMN1; SMN2 (0.47) SMN1; SMN2MAPTPKMGSK3AGSK3B
SCHEMBL544869 0.81 MET (0.51) SMN1; SMN2MAPTHTTKMT2ANPC1
SCHEMBL544192 0.80 CASP3 (0.60) SMN1; SMN2MAPTCSNK1DHTTLMNA
SCHEMBL544212 0.80 MAPT (0.46) SMN1; SMN2MAPTPKMGSK3AGSK3B
SCHEMBL544123 0.80 KMT2A (0.58) SMN1; SMN2MAPTHTTLMNACLK1

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 SMN1; SMN2 4373/4885MAPT 1307/4885PKM 501/4885

“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.