SCHEMBL3145085

SCHEMBL3145085

CNc1c([N+](=O)[O-])ccc(-c2ccccc2Cl)c1C#N

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.39
PKM P14618 1/20 0.38
VCAM1 P19320 3/20 0.38
ALDH1A1 P00352 7/20 0.37
KDM4E B2RXH2 3/20 0.37
HSD11B1 P28845 1/20 0.37
LMNA P02545 3/20 0.36
HTT P42858 2/20 0.36
MAPK1 P28482 2/20 0.36
HPGD P15428 4/20 0.36
MAPT P10636 3/20 0.36
POLB P06746 2/20 0.36
NLRP3 Q96P20 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
THRB P10828 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
KMT2A Q03164 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 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 0.86 HSD17B10 (0.41) RAB9AALDH1A1KDM4ELMNAHPGD
SCHEMBL3149287 0.83 VCAM1 (0.40) RAB9AVCAM1ALDH1A1LMNAHTT
SCHEMBL3154023 0.82 ALDH1A1 (0.46) RAB9AALDH1A1KDM4ELMNAHTT
SCHEMBL894368 0.82 VCAM1 (0.47) RAB9APKMVCAM1LMNAMAPK1
SCHEMBL3145354 0.82 RAB9A (0.63) RAB9APKMVCAM1ALDH1A1KDM4E
SCHEMBL3149356 0.82 RAB9A (0.43) RAB9APKMVCAM1ALDH1A1LMNA
SCHEMBL3149910 0.81 RAB9A (0.44) RAB9AALDH1A1LMNAHPGDMAPT
SCHEMBL3143576 0.81 RAB9A (0.39) RAB9APKMALDH1A1KDM4EHTT
SCHEMBL3135077 0.80 ALDH1A1 (0.37) PKMVCAM1ALDH1A1KDM4ELMNA
SCHEMBL3149206 0.77 SGMS2 (0.46) MAPTKMT2A

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 RAB9A 2938/4885PKM 1445/4885VCAM1 4654/4885

“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.