SCHEMBL544153

SCHEMBL544153

COCCNC(=O)Nc1nc2ccc(OS(=O)(=O)c3c(F)cccc3F)cc2s1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.67
CDK9 P50750 1/20 0.67
RAB9A P51151 7/20 0.52
NPC1 O15118 6/20 0.52
SMN1; SMN2 Q16637 5/20 0.48
POLB P06746 2/20 0.48
ALDH1A1 P00352 2/20 0.48
ABL1 P00519 3/20 0.48
GHSR Q92847 1/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
SCD O00767 3/20 0.47
MAPT P10636 3/20 0.47
LMNA P02545 2/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
PIK3CG P48736 1/20 0.47
CASP2 P42575 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
SCHEMBL544665 0.89 GHSR (0.58) METCDK9RAB9ANPC1SMN1; SMN2
SCHEMBL544152 0.86 GHSR (0.53) METCDK9RAB9ANPC1SMN1; SMN2
SCHEMBL544820 0.82 ABL1 (0.58) METABL1KMT2A
SCHEMBL5036551 0.80 MET (1.00) METCDK9ABL1LMNAPIK3CG
SCHEMBL544677 0.79 ABL1 (0.58) RAB9ANPC1ABL1MEN1KMT2A
SCHEMBL544868 0.78 PIK3CA (0.57) METCDK9RAB9ANPC1SMN1; SMN2
SCHEMBL544145 0.76 SMN1; SMN2 (0.61) RAB9ANPC1SMN1; SMN2POLBALDH1A1
SCHEMBL544599 0.75 GHSR (0.55) POLBALDH1A1ABL1GHSR
SCHEMBL2792818 0.75 NPC1 (0.74) RAB9ANPC1SMN1; SMN2POLBALDH1A1
SCHEMBL544109 0.75 GHSR (0.51) METCDK9RAB9ASMN1; SMN2ABL1

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 6 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 claimed
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
EP-1934187-A1 NOVEL BENZIMIDAZOLE AND BENZOTHIAZOLE DERIVATIVES, METHOD FOR PREPARING SAME, USE THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS AND NOVEL USE IN PARTICULAR AS C-MET INHIBITORS Aventis Pharma S.A. (FR) 2008-06-25 EP claimed
WO-2007036630-A1 NOVEL BENZIMIDAZOLE AND BENZOTHIAZOLE DERIVATIVES, METHOD FOR PREPARING SAME, USE THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS AND NOVEL USE IN PARTICULAR AS C-MET INHIBITORS AVENTIS PHARMA S.A. (FR) 2007-04-05 WO 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 MET 1/4885CDK9 572/4885RAB9A 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.