SCHEMBL3145156

SCHEMBL3145156

CCNc1c([N+](=O)[O-])ccc(-c2ccc(Cl)cc2Cl)c1C#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 2/20 0.44
VCAM1 P19320 3/20 0.43
KDM4E B2RXH2 1/20 0.42
HSD11B1 P28845 1/20 0.41
PGK1 P00558 1/20 0.41
MAPT P10636 5/20 0.38
PKM P14618 1/20 0.38
PLA2G1B P04054 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
ALDH1A1 P00352 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
USP7 Q93009 1/20 0.36
POLB P06746 1/20 0.36
S1PR4 O95977 1/20 0.36

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
SCHEMBL3153199 0.82 RAB9A (0.51) TSHRMAPK1RAB9AVCAM1PGK1
SCHEMBL3149356 0.74 RAB9A (0.43) TSHRMAPK1RAB9AVCAM1MAPT
SCHEMBL3145354 0.74 RAB9A (0.63) MAPK1RAB9AVCAM1KDM4EMAPT
SCHEMBL3145085 0.73 RAB9A (0.39) MAPK1RAB9AVCAM1KDM4EHSD11B1
SCHEMBL3149287 0.70 VCAM1 (0.40) TSHRMAPK1RAB9AVCAM1MAPT
SCHEMBL2016758 0.70 MAPT (0.63) TSHRMAPK1MAPTPKMALDH1A1
SCHEMBL11066636 0.70 TDP1 (0.55) TSHRMAPK1VCAM1PGK1MAPT
Acetonitrile SCHEMBL28603177 0.69 TSHR (0.79) TSHRMAPK1VCAM1HSD11B1PKM
SCHEMBL3149349 0.68 RAB9A (0.74) TSHRMAPK1RAB9AVCAM1MAPT
SCHEMBL894368 0.67 VCAM1 (0.47) TSHRMAPK1RAB9AVCAM1PGK1

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 TSHR 2727/4885MAPK1 4636/4885RAB9A 2938/4885

“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.