SCHEMBL4637243

SCHEMBL4637243

O=C(O)Nc1nc2cc(O)ccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.48
RAB9A P51151 7/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
PKM P14618 2/20 0.48
MAOB P27338 1/20 0.48
ADORA2A P29274 1/20 0.48
LMNA P02545 2/20 0.46
CYP3A4 P08684 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SCD O00767 1/20 0.43
OPRK1 P41145 1/20 0.43
KLF5 Q13887 1/20 0.43
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43

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
SCHEMBL5345714 0.86 LMNA (0.65) NPC1RAB9ASMN1; SMN2PKMMAOB
SCHEMBL5200654 0.84 LMNA (0.52) NPC1RAB9ASMN1; SMN2PKMMAOB
SCHEMBL9719979 0.84 NPC1 (0.54) NPC1RAB9ASMN1; SMN2PKMMAOB
SCHEMBL5035998 0.83 LMNA (0.54) NPC1SMN1; SMN2ADORA2ALMNACYP3A4
SCHEMBL29006649 0.80 ABL1 (0.56) NPC1RAB9ASMN1; SMN2PKMMAOB
SCHEMBL11549633 0.80 NPC1 (0.56) NPC1RAB9ASMN1; SMN2PKMMAOB
SCHEMBL11400518 0.80 NPC1 (0.48) NPC1RAB9ASMN1; SMN2PKMMAOB
SCHEMBL544177 0.79 NPC1 (0.62) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL5037713 0.79 LCK (0.56) NPC1RAB9ASMN1; SMN2ADORA2ALMNA
SCHEMBL204726 0.78 NPC1 (0.73) NPC1RAB9ASMN1; SMN2PKMMAOB

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 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 NPC1 508/4885RAB9A 3640/4885SMN1; SMN2 4373/4885

“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.