SCHEMBL3536029

SCHEMBL3536029

O=c1[nH]nc(-c2cscn2)cc1-c1nc2ccccc2[nH]1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 8/20 0.64
METAP2 P50579 5/20 0.64
NPC1 O15118 3/20 0.64
ADORA3 P0DMS8 2/20 0.64
RAB9A P51151 2/20 0.64
KDM4E B2RXH2 1/20 0.64
TP53 P04637 1/20 0.64
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2D6 P10635 1/20 0.64
TSHR P16473 1/20 0.64
CYP2C19 P33261 1/20 0.64
FKBP1A P62942 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
HIF1A Q16665 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
HDAC6 Q9UBN7 1/20 0.64
GSK3B P49841 1/20 0.56
KDR P35968 2/20 0.52
PDGFRB P09619 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
SCHEMBL3537308 0.81 GSK3B (0.62) METAP1METAP2NPC1ADORA3RAB9A
SCHEMBL3540845 0.80 GSK3B (0.61) METAP1METAP2NPC1ADORA3RAB9A
SCHEMBL2641186 0.79 GSK3B (0.66) METAP2NPC1ADORA3RAB9AKDM4E
Thiabendazole SCHEMBL29370729 0.79 METAP1 (1.00) METAP1METAP2NPC1ADORA3RAB9A
Thiabendazole SCHEMBL625588 0.79 METAP1 (1.00) METAP1METAP2NPC1ADORA3RAB9A
Thiabendazole SCHEMBL19842 0.79 METAP1 (1.00) METAP1METAP2NPC1ADORA3RAB9A
SCHEMBL3539324 0.78 GSK3B (0.58) METAP1METAP2NPC1ADORA3RAB9A
SCHEMBL3538845 0.78 GSK3B (0.55) METAP1METAP2NPC1ADORA3RAB9A
SCHEMBL3540241 0.78 GSK3B (0.67) NPC1ADORA3RAB9AKDM4ETP53
Thiabendazole SCHEMBL11218788 0.78 METAP1 (0.97) METAP1METAP2NPC1ADORA3RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7727989-B2 4-benzimidazol-2-yl-pyridazine-3-one-derivatives, production and use thereof in medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-06-01 US claimed
US-7727989-B2 4-benzimidazol-2-yl-pyridazine-3-one-derivatives, production and use thereof in medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-06-01 US disclosed
US-7727989-B2 4-benzimidazol-2-yl-pyridazine-3-one-derivatives, production and use thereof in medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-06-01 US disclosed
US-7727989-B2 4-benzimidazol-2-yl-pyridazine-3-one-derivatives, production and use thereof in medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-06-01 US disclosed
EP-1725543-B1 4-BENZIMIDAZOL-2-YL-PYRIDAZINE-3-ONE-DERIVATIVES, PRODUCTION AND USE THEREOF IN MEDICAMENTS SANOFI AVENTIS DEUTSCHLAND (DE) 2007-11-28 EP disclosed
US-20070072866-A1 4-BENZIMIDAZOL-2-YL-PYRIDAZINE-3-ONE-DERIVATIVES, PRODUCTION AND USE THEREOF IN MEDICAMENTS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-03-29 US disclosed
US-20070072866-A1 4-BENZIMIDAZOL-2-YL-PYRIDAZINE-3-ONE-DERIVATIVES, PRODUCTION AND USE THEREOF IN MEDICAMENTS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-03-29 US disclosed
US-20070072866-A1 4-BENZIMIDAZOL-2-YL-PYRIDAZINE-3-ONE-DERIVATIVES, PRODUCTION AND USE THEREOF IN MEDICAMENTS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-03-29 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-20070072866-A1 4-BENZIMIDAZOL-2-YL-PYRIDAZINE-3-ONE-DERIVATIVES, PRODUCTION AND USE THEREOF IN MEDICAMENTS GSK3B, GSK3A, PYGB METAP1 1911/4885METAP2 2153/4885NPC1 1293/4885

“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.