SCHEMBL5747155

SCHEMBL5747155

CSc1nccc(CC(=O)c2cccc(OCc3ccncc3)c2)n1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR132 Q9UNW8 2/20 0.45
CYP19A1 P11511 1/20 0.44
MAOB P27338 6/20 0.44
PTPN1 P18031 1/20 0.43
NR4A2 P43354 4/20 0.43
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
MAOA P21397 2/20 0.41
SLC2A1 P11166 2/20 0.40
SLC2A4 P14672 1/20 0.40
NR4A1 P22736 1/20 0.40
NR4A3 Q92570 1/20 0.40
SMPD1 P17405 2/20 0.40

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
SCHEMBL5605247 0.93 MAOB (0.53) GPR132CYP19A1MAOBPTPN1NR4A2
SCHEMBL5604731 0.90 MAOB (0.56) GPR132CYP19A1MAOBPTPN1NR4A2
SCHEMBL5604633 0.90 SMPD1 (0.53) MAOBPTPN1NR4A2MAOASLC2A1
SCHEMBL5747022 0.89 GPR132 (0.52) GPR132
SCHEMBL5604369 0.88 SMPD1 (0.53) CYP19A1MAOBPTPN1NR4A2MAOA
SCHEMBL5746431 0.85 GPR132 (0.46) GPR132MAOBPTPN1NR4A2
SCHEMBL5604816 0.84 NPC1 (0.38)
SCHEMBL5605266 0.82 ALDH1A1 (0.44)
SCHEMBL5605781 0.81 ALDH1A1 (0.41)
SCHEMBL5605161 0.79 ALDH1A1 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7144889-B2 Triarylimidazoles HOFFMAN-LA ROCHE INC. (US) 2006-12-05 US disclosed
EP-1675848-A1 NOVEL TRIARYLIMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2006-07-05 EP disclosed
WO-2005040153-A1 NOVEL TRIARYLIMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2005-05-06 WO disclosed
US-20050085473-A1 Novel triarylimidazoles HOFFMANN-LA ROCHE INC. 2005-04-21 US 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-20050085473-A1 Novel triarylimidazoles AURKAIP1, GLS2, GOT2 GPR132 1076/4885CYP19A1 241/4885MAOB 1708/4885

“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.