SCHEMBL3143576

SCHEMBL3143576

CNc1c([N+](=O)[O-])ccc(-c2ccccc2C(N)=O)c1C#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.39
CTSD P07339 1/20 0.37
ALDH1A1 P00352 5/20 0.36
KCNMA1 Q12791 1/20 0.36
CDC25B P30305 1/20 0.36
BCAT2 O15382 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
CDC7 O00311 1/20 0.35
MAPT P10636 4/20 0.35
KMT2A Q03164 3/20 0.35
POLB P06746 2/20 0.34
GAA P10253 2/20 0.34
MEN1 O00255 2/20 0.34
NPC1 O15118 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CASP3 P42574 1/20 0.34
HTT P42858 1/20 0.34
EIF4E P06730 1/20 0.34

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
SCHEMBL3144948 0.82 HSD17B10 (0.41) RAB9AALDH1A1KCNMA1MAPTPOLB
SCHEMBL3145085 0.81 RAB9A (0.39) RAB9AALDH1A1MAPTKMT2APOLB
SCHEMBL3149910 0.80 RAB9A (0.44) RAB9AALDH1A1MAPTKMT2APOLB
SCHEMBL3154023 0.79 ALDH1A1 (0.46) RAB9AALDH1A1MAPTKMT2AGAA
SCHEMBL13449848 0.79 BCAT2 (0.37) RAB9AALDH1A1BCAT2MAPTGAA
SCHEMBL3149206 0.73 SGMS2 (0.46) MAPTKMT2AMEN1
SCHEMBL4710342 0.73 RAB9A (0.45) RAB9AALDH1A1MAPTKMT2APOLB
SCHEMBL3141013 0.72 ATM (0.48) RAB9AALDH1A1MAPTKMT2AGAA
SCHEMBL995083 0.72 LMNA (0.54) CTSDALDH1A1BCAT2CDC7MAPT
SCHEMBL29950282 0.72 LMNA (0.54) CTSDALDH1A1BCAT2CDC7MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687638-B2 Dipeptidyl peptidase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-03-30 US disclosed
US-7687638-B2 Dipeptidyl peptidase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-03-30 US disclosed
EP-1753730-A1 DIPEPTIDYL PEPTIDASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2007-02-21 EP disclosed
WO-2005118555-A1 DIPEPTIDYL PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-12-15 WO disclosed
WO-2005118555-A1 DIPEPTIDYL PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-12-15 WO disclosed
US-20050272765-A1 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-12-08 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-20050272765-A1 Dipeptidyl peptidase inhibitors DPP3, DPP4, DPP7 RAB9A 2938/4885CTSD 177/4885ALDH1A1 540/4885

“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.