SCHEMBL544342

SCHEMBL544342

O=C(Nc1nc2ccc(OS(=O)(=O)c3c(Cl)cccc3Cl)cc2s1)NC1CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.61
MAPT P10636 6/20 0.61
NPC1 O15118 5/20 0.61
LCK P06239 5/20 0.57
PKM P14618 1/20 0.55
GHSR Q92847 2/20 0.54
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
NFKB1 P19838 2/20 0.49
NFKB2 Q00653 2/20 0.49
RELA Q04206 2/20 0.49
ALDH1A1 P00352 2/20 0.49
CSNK1D P48730 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
LMNA P02545 2/20 0.47
POLB P06746 2/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HTT P42858 3/20 0.47
TUBB4A P04350 1/20 0.46
TUBB P07437 1/20 0.46

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
SCHEMBL544192 0.88 CASP3 (0.60) RAB9AMAPTNPC1LCKGHSR
SCHEMBL544638 0.86 GHSR (0.60) RAB9AMAPTNPC1PKMGHSR
SCHEMBL544856 0.84 TUBB4A (0.64) RAB9AMAPTNPC1PKMGHSR
SCHEMBL544191 0.82 LCK (0.60) RAB9AMAPTNPC1LCKKMT2A
SCHEMBL544513 0.82 CASP3 (0.62) RAB9AMAPTNPC1LCKKMT2A
SCHEMBL544395 0.82 ALDH1A1 (0.62) RAB9AMAPTNPC1PKMGHSR
SCHEMBL543917 0.81 GHSR (0.47) RAB9AMAPTNPC1LCKPKM
SCHEMBL544665 0.81 GHSR (0.58) RAB9AMAPTNPC1LCKPKM
SCHEMBL544976 0.80 GHSR (0.49) RAB9AMAPTNPC1LCKPKM
SCHEMBL544033 0.80 GHSR (0.52) MAPTLCKPKMGHSRKMT2A

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 RAB9A 3640/4885MAPT 1307/4885NPC1 508/4885

“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.