SCHEMBL4700290

SCHEMBL4700290

CNCc1nc(-c2ccc(NC(=N)c3cccs3)cc2)c[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.42
RAB9A P51151 11/20 0.42
SMN1; SMN2 Q16637 9/20 0.42
KMT2A Q03164 8/20 0.42
ALDH1A1 P00352 8/20 0.42
KDM4E B2RXH2 7/20 0.42
HPGD P15428 5/20 0.42
MEN1 O00255 5/20 0.42
TP53 P04637 4/20 0.42
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42
HSD17B10 Q99714 2/20 0.42
PKM P14618 1/20 0.42
MAPT P10636 6/20 0.36
POLB P06746 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
HTT P42858 2/20 0.36
LMNA P02545 1/20 0.35
APAF1 O14727 1/20 0.35

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
Hydrochloric Acid SCHEMBL5642555 0.99 NPC1 (0.41) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL4703321 0.87 KMT2A (0.41) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
Hydrochloric Acid SCHEMBL5642449 0.86 KMT2A (0.40) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL4701613 0.85 KMT2A (0.37) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL4699359 0.85 ALDH1A1 (0.37) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
Hydrochloric Acid SCHEMBL5643035 0.85 KMT2A (0.37) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
Hydrochloric Acid SCHEMBL5642464 0.84 ALDH1A1 (0.39) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL4701558 0.84 HPGD (0.41) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL4698754 0.84 HPGD (0.41) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
Hydrochloric Acid SCHEMBL5642910 0.83 ALDH1A1 (0.43) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1

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 NPC1 3177/4885RAB9A 2554/4885SMN1; SMN2 1132/4885

“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.