SCHEMBL4923449

SCHEMBL4923449

COc1ccc(C(=O)Oc2cc(-c3nc4ccccc4[nH]3)[nH]n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOXO1 Q12778 8/20 0.54
NPC1 O15118 5/20 0.52
RAB9A P51151 4/20 0.52
KDM4E B2RXH2 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
PKM P14618 3/20 0.52
ALDH1A1 P00352 2/20 0.52
LMNA P02545 1/20 0.52
HPGD P15428 1/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
COMT P21964 1/20 0.52
KMT2A Q03164 3/20 0.49
MAPT P10636 3/20 0.49
MEN1 O00255 2/20 0.49
POLB P06746 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
PDGFRB P09619 1/20 0.46
PDGFRA P16234 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
SCHEMBL13373803 0.89 FOXO1 (0.52) FOXO1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL4923160 0.87 KDM4E (0.54) FOXO1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL4921926 0.86 FOXO1 (0.47) FOXO1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL4913053 0.85 NPC1 (0.52) FOXO1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL4915042 0.84 FOXO1 (0.51) FOXO1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL4916574 0.80 FOXO1 (0.48) FOXO1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL4920598 0.79 KDM4E (0.47) FOXO1KDM4EALDH1A1CHEK1
SCHEMBL4917967 0.79 FOXO1 (0.50) FOXO1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL4911616 0.78 FOXO1 (0.57) FOXO1SMN1; SMN2LMNAACHECHEK1
SCHEMBL4914914 0.77 SMN1; SMN2 (0.46) FOXO1NPC1RAB9AKDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060014756-A1 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2006-01-19 US claimed
US-6897208-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 US claimed
EP-1441725-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS Aventis Pharmaceuticals Inc. (US) 2004-08-04 EP claimed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 US claimed
WO-2003035065-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2003-05-01 WO claimed
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-20080125418-A1 Benzimidazole derivatives and their use as kdr kinase protein inhibitors AVENTIS PHARMA S.A. (FR) 2008-05-29 US disclosed
US-20080125418-A1 Benzimidazole derivatives and their use as kdr kinase protein inhibitors AVENTIS PHARMA S.A. (FR) 2008-05-29 US disclosed
US-20080125418-A1 Benzimidazole derivatives and their use as kdr kinase protein inhibitors AVENTIS PHARMA S.A. (FR) 2008-05-29 US disclosed
US-20060014756-A1 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2006-01-19 US disclosed
US-6897208-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 US disclosed
US-20050009894-A1 Benzimidazole derivatives and their use as KDR kinase protein inhibitors AVENTIS PHARMA S.A. (FR) 2005-01-13 US disclosed
EP-1441725-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS Aventis Pharmaceuticals Inc. (US) 2004-08-04 EP disclosed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 US disclosed
WO-2003035065-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2003-05-01 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 (4 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-20060014756-A1 Benzimidazoles CDK9, BMX, SBK3 FOXO1 2307/4885NPC1 3302/4885RAB9A 810/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A FOXO1 2155/4885NPC1 2551/4885RAB9A 955/4885
US-20080125418-A1 Benzimidazole derivatives and their use as kdr kinase protein inhibitors KDR, MUSK, FLT4 FOXO1 455/4885NPC1 4816/4885RAB9A 3809/4885
US-20050009894-A1 Benzimidazole derivatives and their use as KDR kinase protein inhibitors KDR, MUSK, FLT4 FOXO1 443/4885NPC1 4816/4885RAB9A 3804/4885

“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.