SCHEMBL4698972

SCHEMBL4698972

CCCCCC(CCCCC)c1nc(-c2cccc(N=C(N)c3cccs3)c2)c[nH]1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 6/20 0.44
NOS3 P29474 5/20 0.44
NOS2 P35228 5/20 0.44

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
SCHEMBL4698968 1.00 NOS1 (0.44) NOS1NOS3NOS2
Hydrochloric Acid SCHEMBL5644625 0.99 NOS3 (0.43) NOS1NOS3NOS2
SCHEMBL5643305 0.83 NOS1 (0.47) NOS1NOS3NOS2
SCHEMBL5643290 0.83 NOS1 (0.47) NOS1NOS3NOS2
SCHEMBL4703486 0.83 NOS1 (0.46) NOS1NOS3NOS2
SCHEMBL4699810 0.83 NOS1 (0.46) NOS1NOS3NOS2
Hydrochloric Acid SCHEMBL5642746 0.82 NOS3 (0.45) NOS1NOS3NOS2
Hydrochloric Acid SCHEMBL5642748 0.82 NOS3 (0.45) NOS1NOS3NOS2
SCHEMBL4698973 0.78 MAPT (0.41)
SCHEMBL4703799 0.77 NOS1 (0.58) NOS1NOS3NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1527068-B1 NOVEL ARYLIMIDAZOLE DERIVATIVES, THEIR USE AS NO-SYNTASE INHIBITORS AND AS MODULATORS OF SODIUM CHANNELS SOD CONSEILS RECH APPLIC (FR) 2008-01-09 EP claimed
US-7192975-B2 Arylimidazole derivatives, preparation and therapeutic used thereof SOCIETE DE CONSEILS DE RECHERCHES ET D''APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2007-03-20 US claimed
US-20050234118-A1 Novel aryllimidazole derivatives, preparation and therapeutic used thereof IPSEN PHARMA S.A.S. (FR) 2005-10-20 US claimed
EP-1527068-A2 NOVEL ARYLIMIDAZOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USES THEREOF SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2005-05-04 EP claimed
WO-2004011402-A2 NOVEL ARYLIMIDAZOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USES THEREOF SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-02-05 WO claimed
EP-1527068-B1 NOVEL ARYLIMIDAZOLE DERIVATIVES, THEIR USE AS NO-SYNTASE INHIBITORS AND AS MODULATORS OF SODIUM CHANNELS SOD CONSEILS RECH APPLIC (FR) 2008-01-09 EP disclosed
US-7192975-B2 Arylimidazole derivatives, preparation and therapeutic used thereof SOCIETE DE CONSEILS DE RECHERCHES ET D''APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2007-03-20 US disclosed
US-20050234118-A1 Novel aryllimidazole derivatives, preparation and therapeutic used thereof IPSEN PHARMA S.A.S. (FR) 2005-10-20 US disclosed
EP-1527068-A2 NOVEL ARYLIMIDAZOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USES THEREOF SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2005-05-04 EP disclosed
WO-2004011402-A2 NOVEL ARYLIMIDAZOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USES THEREOF SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-02-05 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-20050234118-A1 Novel aryllimidazole derivatives, preparation and therapeutic used thereof OPRL1, CBR3, SCN5A NOS1 680/4885NOS3 207/4885NOS2 501/4885

“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.