SCHEMBL6404441

SCHEMBL6404441

OCCSc1nnc(-c2ccccc2)[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.53
EPHX2 P34913 1/20 0.47
RAB9A P51151 3/20 0.41
NPC1 O15118 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
POLB P06746 2/20 0.40
MAPK1 P28482 4/20 0.38
MAPT P10636 3/20 0.38
TSHR P16473 2/20 0.38
CASP1 P29466 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CDC25A P30304 2/20 0.38
CDC25B P30305 2/20 0.38
CDC25C P30307 2/20 0.38
USP2 O75604 1/20 0.38
ALOX15 P16050 1/20 0.38
CASP7 P55210 1/20 0.38
ALDH1A1 P00352 3/20 0.37
TP53 P04637 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37

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
SCHEMBL18552402 0.84 DHODH (0.43) ALPLEPHX2POLBMAPTMAPK14
SCHEMBL6406096 0.81 RAB9A (0.52) RAB9ANPC1L3MBTL1POLBMAPK1
SCHEMBL6406053 0.77 MEN1 (0.39) RAB9ANPC1L3MBTL1POLBMAPK1
SCHEMBL6410210 0.77 HRH1 (0.43) EPHX2MAPTUSP2KDM4EMAPK14
SCHEMBL14907754 0.76 GRK6 (0.56) RAB9ANPC1ALDH1A1KDM4EMEN1
SCHEMBL6404737 0.76 TNKS (0.46) RAB9APOLBTSHRUSP2ALDH1A1
SCHEMBL6405342 0.76 SMN1; SMN2 (0.56) RAB9ANPC1L3MBTL1POLBMAPT
SCHEMBL6409048 0.75 ALDH1A1 (0.48) RAB9ANPC1L3MBTL1POLBMAPK1
SCHEMBL23527338 0.75 PTGES (0.59) RAB9ANPC1MAPK1MAPTTSHR
SCHEMBL6403484 0.75 ADORA3 (0.41) EPHX2RAB9ANPC1MAPK1MAPT

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 ALPL 745/4885EPHX2 359/4885RAB9A 4278/4885

“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.