SCHEMBL3149287

SCHEMBL3149287

CNc1c([N+](=O)[O-])ccc(-c2cc(F)ccc2Cl)c1C#N

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 5/20 0.40
TDP1 Q9NUW8 2/20 0.38
ATM Q13315 1/20 0.38
RAB9A P51151 1/20 0.36
MERTK Q12866 1/20 0.34
ADORA1 P30542 1/20 0.33
AR P10275 1/20 0.33
ABL1 P00519 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
BRAF P15056 1/20 0.32
ALDH1A1 P00352 3/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL3141013 0.87 ATM (0.48) TDP1ATMRAB9AADORA1AR
SCHEMBL3145085 0.83 RAB9A (0.39) VCAM1TDP1RAB9AADORA1MAPK1
SCHEMBL894368 0.81 VCAM1 (0.47) VCAM1TDP1RAB9AMERTKTSHR
SCHEMBL3144948 0.74 HSD17B10 (0.41) TDP1RAB9ATSHRALDH1A1LMNA
SCHEMBL3154023 0.74 ALDH1A1 (0.46) TDP1RAB9AADORA1TSHRMAPK1
SCHEMBL26790809 0.71 TDP1 (0.47) VCAM1TDP1ATMTSHRMAPK1
SCHEMBL3149910 0.71 RAB9A (0.44) TDP1RAB9AARTSHRALDH1A1
SCHEMBL4710342 0.70 RAB9A (0.45) VCAM1TDP1RAB9ATSHRALDH1A1
SCHEMBL3145156 0.70 TSHR (0.44) VCAM1TDP1RAB9ATSHRMAPK1
SCHEMBL3143576 0.70 RAB9A (0.39) TDP1RAB9AALDH1A1MAPTSMN1; SMN2

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 7 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
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 VCAM1 4654/4885TDP1 2133/4885ATM 4551/4885

“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.