SCHEMBL4050842

SCHEMBL4050842

S=C(Nc1cc[c]cc1)Nc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.74
CYP3A4 P08684 1/20 0.74
TAS2R38 P59533 1/20 0.74
HSD17B10 Q99714 1/20 0.74
KMT2A Q03164 5/20 0.61
GAA P10253 5/20 0.61
MEN1 O00255 3/20 0.61
RAB9A P51151 2/20 0.61
NPC1 O15118 1/20 0.61
NOX1 Q9Y5S8 1/20 0.61
MAOA P21397 2/20 0.61
MAOB P27338 2/20 0.61
LMNA P02545 2/20 0.61
MAPT P10636 3/20 0.59
KDM4E B2RXH2 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C19 P33261 1/20 0.53

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
SCHEMBL132620 0.86 ALDH1A1 (1.00) ALDH1A1CYP3A4TAS2R38HSD17B10KMT2A
SCHEMBL9470190 0.84 ALDH1A1 (0.94) ALDH1A1CYP3A4TAS2R38HSD17B10KMT2A
SCHEMBL8956322 0.84 ALDH1A1 (0.94) ALDH1A1CYP3A4TAS2R38HSD17B10KMT2A
Thiourea SCHEMBL21055683 0.79 ALDH1A1 (0.85) ALDH1A1CYP3A4TAS2R38HSD17B10KMT2A
SCHEMBL5398274 0.79 GAA (0.66) ALDH1A1KMT2AGAAMEN1NOX1
SCHEMBL751586 0.78 SMN1; SMN2 (0.74) KMT2AGAAMEN1RAB9ANPC1
Tetramethylammonium Ion SCHEMBL28514624 0.77 ALDH1A1 (0.81) ALDH1A1CYP3A4TAS2R38HSD17B10KMT2A
SCHEMBL27691142 0.77 ALDH1A1 (0.81) ALDH1A1CYP3A4TAS2R38HSD17B10KMT2A
SCHEMBL9243020 0.77 ALDH1A1 (0.81) ALDH1A1CYP3A4TAS2R38HSD17B10KMT2A
SCHEMBL730314 0.77 ALDH1A1 (0.80) ALDH1A1CYP3A4TAS2R38HSD17B10KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1730124-A4 CERTAIN TRIAZOLE-BASED COMPOUNDS, COMPOSITIONS, AND USES THEREOF AMPHORA DISCOVERY CORP (US) 2009-04-01 EP claimed
EP-1730124-A1 CERTAIN TRIAZOLE-BASED COMPOUNDS, COMPOSITIONS, AND USES THEREOF Amphora Discovery Corporation (US) 2006-12-13 EP claimed
US-20050288347-A1 Certain triazole-based compounds, compositions, and uses thereof AGRIUS GROUP, LLC. 2005-12-29 US claimed
WO-2005097758-A1 CERTAIN TRIAZOLE-BASED COMPOUNDS, COMPOSITIONS, AND USES THEREOF AMPHORA DISCOVERY CORPORATION (US) 2005-10-20 WO claimed
US-11697707-B2 Chemical sensors based on carbon nanotubes functionalised by conjugated polymers for analysis in aqueous medium ECOLE POLYTECHNIQUE (FR) 2023-07-11 US disclosed
US-20210130540-A1 CHEMICAL SENSORS BASED ON CARBON NANOTUBES FUNCTIONALISED BY CONJUGATED POLYMERS FOR ANALYSIS IN AQUEOUS MEDIUM CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2021-05-06 US disclosed
EP-3609881-A1 CHEMICAL SENSORS BASED ON CARBON NANOTUBES FUNCTIONALISED BY CONJUGATED POLYMERS FOR ANALYSIS IN AQUEOUS MEDIUM Ecole Polytechnique (FR) 2020-02-19 EP disclosed
CN-110691780-A Chemical sensor based on carbon nanotubes functionalized by conjugated polymers for analysis in aqueous media 巴黎综合理工大学 2020-01-14 CN disclosed
WO-2018189479-A1 CHEMICAL SENSORS BASED ON CARBON NANOTUBES FUNCTIONALISED BY CONJUGATED POLYMERS FOR ANALYSIS IN AQUEOUS MEDIUM ECOLE POLYTECHNIQUE (FR) 2018-10-18 WO disclosed
EP-1730124-A4 CERTAIN TRIAZOLE-BASED COMPOUNDS, COMPOSITIONS, AND USES THEREOF AMPHORA DISCOVERY CORP (US) 2009-04-01 EP disclosed
EP-1730124-A1 CERTAIN TRIAZOLE-BASED COMPOUNDS, COMPOSITIONS, AND USES THEREOF Amphora Discovery Corporation (US) 2006-12-13 EP disclosed
US-20050288347-A1 Certain triazole-based compounds, compositions, and uses thereof AGRIUS GROUP, LLC. 2005-12-29 US disclosed
WO-2005097758-A1 CERTAIN TRIAZOLE-BASED COMPOUNDS, COMPOSITIONS, AND USES THEREOF AMPHORA DISCOVERY CORPORATION (US) 2005-10-20 WO disclosed
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP 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-20050288347-A1 Certain triazole-based compounds, compositions, and uses thereof ABCG2, ATP5ME, DNTT ALDH1A1 720/4885CYP3A4 25/4885TAS2R38 3057/4885

“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.