SCHEMBL544433

SCHEMBL544433

CN1CCCC1CCNC(=O)Nc1nc2ccc(OS(=O)(=O)c3c(Cl)cccc3Cl)cc2s1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 2/20 0.66
GHSR Q92847 4/20 0.48
MAPT P10636 10/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
PKM P14618 1/20 0.46
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
KMT2A Q03164 6/20 0.44
MEN1 O00255 5/20 0.44
POLB P06746 4/20 0.44
MAPK1 P28482 2/20 0.44
ALDH1A1 P00352 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
LMNA P02545 4/20 0.44
HTT P42858 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TP53 P04637 1/20 0.43
CLK1 P49759 2/20 0.43
CYP1A2 P05177 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
SCHEMBL544033 0.85 GHSR (0.52) LCKGHSRMAPTSMN1; SMN2PKM
SCHEMBL544976 0.85 GHSR (0.49) LCKGHSRMAPTSMN1; SMN2PKM
SCHEMBL543982 0.84 GHSR (0.51) LCKGHSRMAPTSMN1; SMN2PKM
SCHEMBL543827 0.84 GHSR (0.51) LCKGHSRMAPTSMN1; SMN2PKM
SCHEMBL544359 0.84 LCK (0.47) LCKGHSRMAPTSMN1; SMN2PKM
SCHEMBL544204 0.84 ABL1 (0.58) GHSRMAPTSMN1; SMN2PKMGSK3A
SCHEMBL544109 0.84 GHSR (0.51) LCKGHSRMAPTSMN1; SMN2PKM
SCHEMBL544665 0.83 GHSR (0.58) LCKGHSRMAPTSMN1; SMN2PKM
SCHEMBL543917 0.83 GHSR (0.47) LCKGHSRMAPTSMN1; SMN2PKM
SCHEMBL544212 0.83 MAPT (0.46) LCKGHSRMAPTSMN1; SMN2PKM

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 claimed
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 claimed
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

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.