SCHEMBL3149349

SCHEMBL3149349

N#Cc1c(Cl)ccc([N+](=O)[O-])c1NCCO

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.74
VCAM1 P19320 5/20 0.42
MAPT P10636 6/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
ALDH1A1 P00352 4/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
HIF1A Q16665 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PKM P14618 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.36
BRAF P15056 1/20 0.35
MERTK Q12866 1/20 0.35

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
SCHEMBL3145354 0.84 RAB9A (0.63) RAB9AVCAM1MAPTMEN1KMT2A
SCHEMBL3153199 0.83 RAB9A (0.51) RAB9AVCAM1MAPTMEN1KMT2A
SCHEMBL7779674 0.83 RAB9A (0.51) RAB9AVCAM1MAPTMEN1KMT2A
SCHEMBL8278796 0.79 RAB9A (0.47) RAB9AVCAM1MAPTMEN1KMT2A
SCHEMBL894368 0.79 VCAM1 (0.47) RAB9AVCAM1MAPTTDP1POLB
SCHEMBL7860943 0.76 VCAM1 (0.51) RAB9AVCAM1MAPTTDP1ALDH1A1
SCHEMBL308233 0.76 MAPT (0.60) RAB9AMAPTMEN1KMT2ATDP1
SCHEMBL29566643 0.76 MAPT (0.60) RAB9AMAPTMEN1KMT2ATDP1
SCHEMBL25352613 0.75 VCAM1 (0.44) RAB9AVCAM1MAPTTDP1ALDH1A1
SCHEMBL307109 0.75 RAB9A (0.61) RAB9AVCAM1MAPTMEN1KMT2A

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 2938/4885VCAM1 4654/4885MAPT 3737/4885

“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.