SCHEMBL6699358

SCHEMBL6699358

CC(C)(CNc1nc(-c2ccccc2)cs1)[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.52
ALDH1A1 P00352 6/20 0.52
RAB9A P51151 5/20 0.52
NPC1 O15118 3/20 0.52
STAT1 P42224 1/20 0.52
MEN1 O00255 7/20 0.49
KMT2A Q03164 7/20 0.49
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 3/20 0.47
GFER P55789 2/20 0.47
CSNK2A1 P68400 1/20 0.46
GAA P10253 4/20 0.46
KDM4E B2RXH2 2/20 0.46
HTT P42858 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ELOVL1 Q9BW60 1/20 0.45

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
SCHEMBL29470100 0.82 RAB9A (0.61) MAPTALDH1A1RAB9ANPC1STAT1
SCHEMBL6695940 0.81 MAPT (0.59) MAPTALDH1A1RAB9ANPC1STAT1
SCHEMBL1747419 0.74 MEN1 (0.71) MAPTALDH1A1RAB9ANPC1STAT1
SCHEMBL6699359 0.72 ALDH1A1 (0.67) MAPTALDH1A1RAB9ANPC1MEN1
SCHEMBL1745328 0.72 MAPT (0.62) MAPTALDH1A1RAB9ANPC1STAT1
SCHEMBL1747328 0.72 RAB9A (0.81) MAPTALDH1A1RAB9ANPC1STAT1
SCHEMBL959623 0.72 MAPT (0.59) MAPTALDH1A1RAB9ANPC1STAT1
SCHEMBL1819538 0.71 MEN1 (0.60) MAPTALDH1A1RAB9ANPC1STAT1
SCHEMBL3420454 0.71 PTPRF (0.45) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL21517172 0.71 MAPT (0.61) MAPTALDH1A1RAB9ANPC1STAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040180925-A1 Dipeptidylpeptidase-IV inhibitor KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-09-16 US disclosed
EP-1354882-A1 DIPEPTIDYL PEPTIDASE IV INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-10-22 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-20040180925-A1 Dipeptidylpeptidase-IV inhibitor DPP4, DPP3, DPP9 MAPT 3376/4885ALDH1A1 925/4885RAB9A 2032/4885

“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.