SCHEMBL544638

SCHEMBL544638

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 3/20 0.60
MAPT P10636 6/20 0.53
RAB9A P51151 5/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
NPC1 O15118 4/20 0.53
POLB P06746 3/20 0.53
LMNA P02545 2/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
CSNK1D P48730 4/20 0.52
TUBB4A P04350 1/20 0.52
TUBB P07437 1/20 0.52
MET P08581 1/20 0.52
TUBA3C P0DPH7 1/20 0.52
CDK9 P50750 1/20 0.52
TUBA1B P68363 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
SCHEMBL544856 0.90 TUBB4A (0.64) GHSRMAPTRAB9ASMN1; SMN2MEN1
SCHEMBL544342 0.86 RAB9A (0.61) GHSRMAPTRAB9ASMN1; SMN2MEN1
SCHEMBL544665 0.86 GHSR (0.58) GHSRMAPTRAB9ASMN1; SMN2MEN1
SCHEMBL544192 0.86 CASP3 (0.60) GHSRMAPTRAB9ASMN1; SMN2MEN1
SCHEMBL544395 0.85 ALDH1A1 (0.62) GHSRMAPTRAB9ASMN1; SMN2MEN1
SCHEMBL544868 0.84 PIK3CA (0.57) GHSRMAPTRAB9ASMN1; SMN2MEN1
SCHEMBL543335 0.82 GHSR (0.50) GHSRMAPTRAB9ASMN1; SMN2MEN1
SCHEMBL544191 0.82 LCK (0.60) MAPTRAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL544204 0.82 ABL1 (0.58) GHSRMAPTSMN1; SMN2POLBALDH1A1
SCHEMBL544152 0.81 GHSR (0.53) GHSRMAPTRAB9ASMN1; SMN2NPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 GHSR 1821/4885MAPT 1307/4885RAB9A 3640/4885

“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.