SCHEMBL4698758

SCHEMBL4698758

NC(=Nc1ccc(-c2c[nH]c(CNC3CCCCC3)n2)cc1)c1cccs1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 12/20 0.45
NOS1 P29475 12/20 0.45
SLC6A2 P23975 11/20 0.45
KCNH2 Q12809 6/20 0.45
CYP3A4 P08684 5/20 0.45
CYP2D6 P10635 5/20 0.45
CYP2C19 P33261 4/20 0.45
CYP2C9 P11712 2/20 0.45
NOS2 P35228 8/20 0.44
QRFPR Q96P65 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
SCHEMBL4698751 1.00 NOS3 (0.45) NOS3NOS1SLC6A2KCNH2CYP3A4
SCHEMBL4701555 1.00 NOS3 (0.45) NOS3NOS1SLC6A2KCNH2CYP3A4
SCHEMBL4701557 1.00 NOS3 (0.45) NOS3NOS1SLC6A2KCNH2CYP3A4
Hydrochloric Acid SCHEMBL5640643 0.99 NOS3 (0.46) NOS3NOS1SLC6A2KCNH2CYP3A4
Hydrochloric Acid SCHEMBL5642900 0.99 NOS3 (0.46) NOS3NOS1SLC6A2KCNH2CYP3A4
Hydrochloric Acid SCHEMBL5643457 0.99 NOS3 (0.46) NOS3NOS1SLC6A2KCNH2CYP3A4
Hydrochloric Acid SCHEMBL5642904 0.99 NOS3 (0.46) NOS3NOS1SLC6A2KCNH2CYP3A4
SCHEMBL4699357 0.97 NOS1 (0.47) NOS3NOS1SLC6A2KCNH2CYP3A4
SCHEMBL4699356 0.97 NOS1 (0.47) NOS3NOS1SLC6A2KCNH2CYP3A4
Hydrochloric Acid SCHEMBL5642453 0.96 NOS3 (0.48) NOS3NOS1SLC6A2KCNH2CYP3A4

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 13 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
US-20080311038-A1 Radicicol Derivatives Useful for Position Emission Tomography AUBERSON YVES 2008-12-18 US disclosed
EP-1968964-A1 RADICICOL DERIVATIVES USEFUL FOR POSITRON EMISSION TOMOGRAPHY Novartis AG (CH) 2008-09-17 EP disclosed
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
WO-2007077209-A1 RADICICOL DERIVATIVES USEFUL FOR POSITRON EMISSION TOMOGRAPHY NOVARTIS AG (CH) 2007-07-12 WO 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 (2 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 NOS3 207/4885NOS1 680/4885SLC6A2 1519/4885
US-20080311038-A1 Radicicol Derivatives Useful for Position Emission Tomography NCOR1, NCOR2, NCOA1 NOS3 4152/4885NOS1 4013/4885SLC6A2 1306/4885

“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.