SCHEMBL3149910

SCHEMBL3149910

CNc1c([N+](=O)[O-])ccc(-c2ccccc2CO)c1C#N

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.44
ALDH1A1 P00352 7/20 0.42
HPGD P15428 1/20 0.42
MAPT P10636 2/20 0.39
CA12 O43570 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.35
PDE10A Q9Y233 1/20 0.35
NPC1 O15118 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KMT2A Q03164 3/20 0.33
AR P10275 1/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.33

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 0.83 HSD17B10 (0.41) RAB9AALDH1A1HPGDMAPTTDP1
SCHEMBL3145085 0.81 RAB9A (0.39) RAB9AALDH1A1HPGDMAPTTDP1
SCHEMBL3143576 0.80 RAB9A (0.39) RAB9AALDH1A1MAPTTDP1POLB
SCHEMBL3154023 0.80 ALDH1A1 (0.46) RAB9AALDH1A1HPGDMAPTTDP1
SCHEMBL13449891 0.78 PDE10A (0.36) PDE10A
SCHEMBL3149206 0.77 SGMS2 (0.46) MAPTKMT2AMEN1
SCHEMBL3141013 0.73 ATM (0.48) RAB9AALDH1A1HPGDMAPTTDP1
SCHEMBL3145354 0.72 RAB9A (0.63) RAB9AALDH1A1HPGDMAPTTDP1
SCHEMBL4710342 0.71 RAB9A (0.45) RAB9AALDH1A1MAPTTDP1POLB
SCHEMBL894368 0.71 VCAM1 (0.47) RAB9AMAPTTDP1POLBTSHR

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 2938/4885ALDH1A1 540/4885HPGD 2248/4885

“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.