SCHEMBL4701758

SCHEMBL4701758

N=C(Nc1ccc(-c2c[nH]c(CCC3CCCCC3)n2)cc1)c1cccs1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.39
NPC1 O15118 7/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 7/20 0.36
SMN1; SMN2 Q16637 5/20 0.36
KMT2A Q03164 5/20 0.36
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 3/20 0.36
MEN1 O00255 3/20 0.36
TP53 P04637 2/20 0.36
PKM P14618 2/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALOX5 P09917 1/20 0.35
ROCK2 O75116 1/20 0.34
MAPT P10636 3/20 0.33
POLB P06746 3/20 0.33
HTT P42858 1/20 0.33

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 SCHEMBL5640257 0.99 RAB9A (0.38) RAB9ANPC1L3MBTL1HPGDSMN1; SMN2
SCHEMBL4699977 0.91 MAPT (0.39) RAB9ANPC1L3MBTL1HPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL5645088 0.90 MAPT (0.39) RAB9ANPC1L3MBTL1HPGDSMN1; SMN2
SCHEMBL4700238 0.87 ALDH1A1 (0.40) RAB9ANPC1HPGDSMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL5643097 0.86 ALDH1A1 (0.41) RAB9ANPC1HPGDSMN1; SMN2KMT2A
SCHEMBL4699269 0.85 MAPT (0.38) RAB9ANPC1L3MBTL1HPGDSMN1; SMN2
SCHEMBL4698754 0.85 HPGD (0.41) RAB9ANPC1L3MBTL1HPGDSMN1; SMN2
SCHEMBL4701558 0.85 HPGD (0.41) RAB9ANPC1L3MBTL1HPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL5643980 0.84 MAPT (0.38) RAB9ANPC1L3MBTL1HPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL5642910 0.84 ALDH1A1 (0.43) RAB9ANPC1L3MBTL1HPGDSMN1; 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 12 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-1565461-A2 ANTIBACTERIAL SUBSTITUTED CYANOMETHYL(ENE)PIPERIDINOPHENYL OXAZOLIDINONES, PROCESS FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Patel, Mahesh V. (IN) 2005-08-24 EP claimed
WO-2004007489-A2 ANTIBACTERIAL SUBSTITUTED CYANOMETHYL (ENE) PIPERIDINOPHENYL OXAZOLIDINONES, PROCESS OR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM WOCKHARDT LIMITED (IN) 2004-01-22 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-1565461-A2 ANTIBACTERIAL SUBSTITUTED CYANOMETHYL(ENE)PIPERIDINOPHENYL OXAZOLIDINONES, PROCESS FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Patel, Mahesh V. (IN) 2005-08-24 EP 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
WO-2004007489-A2 ANTIBACTERIAL SUBSTITUTED CYANOMETHYL (ENE) PIPERIDINOPHENYL OXAZOLIDINONES, PROCESS OR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM WOCKHARDT LIMITED (IN) 2004-01-22 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 RAB9A 2554/4885NPC1 3177/4885L3MBTL1 3809/4885

“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.