SCHEMBL544799

SCHEMBL544799

Nc1nc2ccc(OS(=O)(=O)c3c(Cl)cc(Cl)cc3Cl)cc2s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.55
CYP1A2 P05177 2/20 0.55
CYP2C19 P33261 1/20 0.55
CA2 P00918 3/20 0.51
CA1 P00915 2/20 0.51
CYP2D6 P10635 1/20 0.49
RAB9A P51151 4/20 0.48
ALDH1A1 P00352 4/20 0.48
TP53 P04637 3/20 0.48
HSD17B10 Q99714 3/20 0.48
NPC1 O15118 3/20 0.48
MAPT P10636 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 2/20 0.48
PKM P14618 2/20 0.48
HTT P42858 2/20 0.48
GAA P10253 2/20 0.48
TSHR P16473 1/20 0.48
GMNN O75496 1/20 0.48
USP2 O75604 1/20 0.48

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
SCHEMBL544604 0.90 CYP3A4 (0.55) CYP3A4CYP1A2CYP2C19CA2CA1
SCHEMBL544973 0.82 CYP3A4 (0.49) CYP3A4CYP1A2CYP2C19CA2CA1
SCHEMBL543995 0.80 CA2 (0.57) CYP3A4CYP1A2CYP2C19CA2CA1
SCHEMBL5160798 0.78 NPC1 (0.62) CYP3A4CYP1A2CYP2C19CA2CA1
SCHEMBL17324159 0.77 CYP3A4 (0.60) CYP3A4CYP1A2CYP2C19CA2CA1
SCHEMBL9722861 0.77 CYP3A4 (0.65) CYP3A4CYP1A2CYP2C19CA2CA1
SCHEMBL544513 0.76 CASP3 (0.62) CYP3A4CYP1A2CYP2C19RAB9AALDH1A1
SCHEMBL4396916 0.76 GFER (0.56) CYP3A4CYP1A2CYP2C19CA2CA1
SCHEMBL4401079 0.75 CYP3A4 (0.51) CYP3A4CYP1A2CYP2C19CA2CA1
SCHEMBL9722847 0.75 CYP3A4 (0.65) CYP3A4CYP1A2CYP2C19CA2CA1

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 CYP3A4 32/4885CYP1A2 261/4885CYP2C19 7/4885

“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.