SCHEMBL544666

SCHEMBL544666

CC(C)(C)OC(=O)N1CCC(CCC(=O)Nc2nc3ccc(OS(=O)(=O)c4c(Cl)cccc4Cl)cc3s2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
CLK1 P49759 3/20 0.47
HTT P42858 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
LMNA P02545 1/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
STS P08842 1/20 0.46
PKM P14618 1/20 0.45
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45
CSNK1D P48730 2/20 0.45
USP30 Q70CQ3 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 3/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL544131 0.96 SMN1; SMN2 (0.46) MAPTSMN1; SMN2CLK1HTTCYP1A2
SCHEMBL545002 0.90 SMN1; SMN2 (0.46) MAPTSMN1; SMN2CLK1HTTCYP1A2
SCHEMBL544212 0.90 MAPT (0.46) MAPTSMN1; SMN2CLK1HTTCYP1A2
SCHEMBL4401038 0.86 LMNA (0.46) MAPTSMN1; SMN2HTTLMNAKMT2A
SCHEMBL545080 0.86 DRD2 (0.45) MAPTSMN1; SMN2CLK1HTTCYP1A2
SCHEMBL544713 0.85 SMN1; SMN2 (0.48) MAPTSMN1; SMN2KMT2AMEN1PKM
SCHEMBL4398838 0.83 PCSK9 (0.43) MAPTSMN1; SMN2CLK1HTTLMNA
SCHEMBL544929 0.83 TUBB4A (0.50) STS
SCHEMBL545089 0.82 ABL1 (0.47) MAPTSMN1; SMN2CLK1HTTCYP1A2
SCHEMBL4405536 0.81 LMNA (0.42) MAPTSMN1; SMN2HTTLMNAKMT2A

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 2 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

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 MAPT 1307/4885SMN1; SMN2 4373/4885CLK1 441/4885

“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.