SCHEMBL4698750

SCHEMBL4698750

N=C(Nc1ccc(-c2c[nH]c(CSc3ccccc3)n2)cc1)c1cccs1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 11/20 0.38
MEN1 O00255 9/20 0.38
KDM4E B2RXH2 8/20 0.38
RAB9A P51151 8/20 0.38
NPC1 O15118 7/20 0.38
SMN1; SMN2 Q16637 6/20 0.38
ALDH1A1 P00352 4/20 0.38
TP53 P04637 3/20 0.38
HPGD P15428 3/20 0.38
HSD17B10 Q99714 2/20 0.38
PKM P14618 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
MAPT P10636 6/20 0.37
POLB P06746 4/20 0.37
HTT P42858 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
TNKS O95271 1/20 0.36
ALOX15 P16050 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 SCHEMBL5642703 0.99 KMT2A (0.37) KMT2AMEN1KDM4ERAB9ANPC1
SCHEMBL4703491 0.90 MAPT (0.45) KMT2AMEN1KDM4ERAB9ANPC1
Hydrochloric Acid SCHEMBL5643841 0.89 MAPT (0.44) KMT2AMEN1KDM4ERAB9ANPC1
SCHEMBL4703321 0.84 KMT2A (0.41) KMT2AMEN1KDM4ERAB9ANPC1
Hydrochloric Acid SCHEMBL5642449 0.83 KMT2A (0.40) KMT2AMEN1KDM4ERAB9ANPC1
SCHEMBL4701613 0.83 KMT2A (0.37) KMT2AMEN1KDM4ERAB9ANPC1
SCHEMBL4700290 0.82 NPC1 (0.42) KMT2AMEN1KDM4ERAB9ANPC1
SCHEMBL4704063 0.82 KMT2A (0.36) KMT2AMEN1KDM4ERAB9ANPC1
Hydrochloric Acid SCHEMBL5643035 0.82 KMT2A (0.37) KMT2AMEN1KDM4ERAB9ANPC1
Hydrochloric Acid SCHEMBL5642555 0.81 NPC1 (0.41) KMT2AMEN1KDM4ERAB9ANPC1

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 KMT2A 4346/4885MEN1 4820/4885KDM4E 3154/4885

“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.