SCHEMBL6407017

SCHEMBL6407017

COc1ccc(-n2c(S)nnc2-c2cccnc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
MAPK1 P28482 2/20 0.60
ALDH1A1 P00352 7/20 0.58
G6PD P11413 1/20 0.55
HPGD P15428 3/20 0.53
OXTR P30559 1/20 0.51
MAPT P10636 3/20 0.51
DCTPP1 Q9H773 1/20 0.51
GLA P06280 1/20 0.50
HSD17B10 Q99714 1/20 0.50
APLNR P35414 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 2/20 0.49
NPC1 O15118 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
RAB9A P51151 1/20 0.49
BCHE P06276 2/20 0.48

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
SCHEMBL12110672 0.85 OXTR (0.69) MEN1KMT2AMAPK1ALDH1A1HPGD
SCHEMBL10035357 0.84 OXTR (0.64) MEN1KMT2AMAPK1ALDH1A1G6PD
SCHEMBL11919913 0.83 OXTR (0.52) ALDH1A1OXTRMAPTGLAHSD17B10
SCHEMBL10432252 0.83 ALDH1A1 (0.55) MEN1KMT2AMAPK1ALDH1A1HPGD
SCHEMBL10012186 0.83 OXTR (0.61) MEN1KMT2AALDH1A1HPGDOXTR
SCHEMBL10035350 0.82 OXTR (0.69) MEN1KMT2AMAPK1ALDH1A1G6PD
SCHEMBL10035326 0.82 OXTR (0.69) MEN1KMT2AMAPK1ALDH1A1G6PD
SCHEMBL6402514 0.79 OXTR (0.57) MEN1KMT2AALDH1A1HPGDOXTR
SCHEMBL1104405 0.79 OXTR (0.65) MEN1KMT2AMAPK1ALDH1A1HPGD
SCHEMBL20514201 0.79 APLNR (0.73) APLNR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050288347-A1 Certain triazole-based compounds, compositions, and uses thereof AGRIUS GROUP, LLC. 2005-12-29 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-20050288347-A1 Certain triazole-based compounds, compositions, and uses thereof ABCG2, ATP5ME, DNTT MEN1 3562/4885KMT2A 2263/4885MAPK1 4613/4885

“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.