SCHEMBL544192

SCHEMBL544192

O=C(Nc1nc2ccc(OS(=O)(=O)c3c(Cl)cccc3Cl)cc2s1)C1CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.60
SENP8 Q96LD8 1/20 0.60
SENP7 Q9BQF6 1/20 0.60
SENP6 Q9GZR1 1/20 0.60
MAPT P10636 2/20 0.56
HTT P42858 2/20 0.56
LMNA P02545 1/20 0.56
LCK P06239 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.54
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
POLB P06746 1/20 0.54
CLK1 P49759 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C19 P33261 1/20 0.54
NPC1 O15118 4/20 0.53
RAB9A P51151 3/20 0.53
HSP90AA1 P07900 1/20 0.53
GHSR Q92847 1/20 0.52

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
SCHEMBL544191 0.93 LCK (0.60) CASP3SENP8SENP7SENP6MAPT
SCHEMBL544513 0.93 CASP3 (0.62) CASP3SENP8SENP7SENP6MAPT
SCHEMBL544677 0.89 ABL1 (0.58) CASP3SENP8SENP7SENP6MAPT
SCHEMBL544342 0.88 RAB9A (0.61) CASP3SENP8SENP7SENP6MAPT
SCHEMBL544856 0.88 TUBB4A (0.64) MAPTHTTLMNASMN1; SMN2KMT2A
SCHEMBL544638 0.86 GHSR (0.60) MAPTHTTLMNASMN1; SMN2KMT2A
SCHEMBL544395 0.85 ALDH1A1 (0.62) MAPTHTTLMNASMN1; SMN2KMT2A
SCHEMBL4402209 0.83 MAPT (0.67) CASP3SENP8SENP7SENP6MAPT
SCHEMBL544713 0.82 SMN1; SMN2 (0.48) MAPTLCKSMN1; SMN2KMT2AMEN1
SCHEMBL4402171 0.82 ENPP3 (0.56) CASP3SENP8SENP7SENP6MAPT

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 CASP3 2704/4885SENP8 1569/4885SENP7 1262/4885

“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.