SCHEMBL544145

SCHEMBL544145

COCCNC(=O)Nc1nc2ccc(O)cc2s1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.61
ALDH1A1 P00352 1/20 0.61
POLB P06746 1/20 0.61
DYRK1A Q13627 7/20 0.61
DYRK1B Q9Y463 3/20 0.58
HSD17B1 P14061 3/20 0.57
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
HSD17B2 P37059 2/20 0.55
ABL1 P00519 2/20 0.54
SNCA P37840 1/20 0.54
HSD17B10 Q99714 1/20 0.53
LCK P06239 1/20 0.53
PIK3CG P48736 1/20 0.52
DYRK2 Q92630 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
SCHEMBL2792818 0.84 NPC1 (0.74) SMN1; SMN2ALDH1A1POLBDYRK1ANPC1
SCHEMBL13673276 0.77 PIK3CD (0.78) ABL1PIK3CG
SCHEMBL10170616 0.76 DYRK1A (1.00) SMN1; SMN2DYRK1ADYRK1BHSD17B1NPC1
SCHEMBL544153 0.76 MET (0.67) SMN1; SMN2ALDH1A1POLBNPC1RAB9A
SCHEMBL544665 0.76 GHSR (0.58) SMN1; SMN2ALDH1A1POLBNPC1RAB9A
SCHEMBL2759558 0.76 RAB9A (0.71) SMN1; SMN2ALDH1A1POLBDYRK1ANPC1
SCHEMBL11728977 0.76 NPC1 (0.73) SMN1; SMN2POLBDYRK1ADYRK1BNPC1
SCHEMBL14847475 0.76 RAB9A (0.63) SMN1; SMN2ALDH1A1POLBNPC1RAB9A
SCHEMBL543789 0.76 ABL1 (0.69) SMN1; SMN2ALDH1A1POLBABL1
SCHEMBL16554101 0.76 HTT (0.71) SMN1; SMN2ALDH1A1DYRK1AHSD17B1NPC1

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 5 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
CN-101273019-A 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 SA (FR) 2008-09-24 CN 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
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 disclosed
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 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 SMN1; SMN2 4373/4885ALDH1A1 390/4885POLB 4535/4885

“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.