SCHEMBL3149356

SCHEMBL3149356

N#Cc1c(-c2ccccc2Cl)ccc([N+](=O)[O-])c1NCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.43
MAPT P10636 5/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CYP3A4 P08684 5/20 0.40
CYP2C19 P33261 5/20 0.40
CYP1A2 P05177 4/20 0.40
CYP2C9 P11712 2/20 0.40
NPC1 O15118 2/20 0.40
TLR9 Q9NR96 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
VCAM1 P19320 1/20 0.40
USP2 O75604 1/20 0.40
HTT P42858 1/20 0.40
RECQL P46063 1/20 0.40
CYP2D6 P10635 3/20 0.39
MAPK1 P28482 2/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL8278796 0.87 RAB9A (0.47) RAB9AMAPTL3MBTL1CYP3A4CYP2C19
SCHEMBL3145354 0.84 RAB9A (0.63) RAB9AMAPTL3MBTL1CYP3A4CYP2C19
SCHEMBL3145085 0.82 RAB9A (0.39) RAB9AMAPTL3MBTL1KMT2AVCAM1
SCHEMBL3145078 0.75 DPP4 (0.39) RAB9AMAPTNPC1TLR9VCAM1
SCHEMBL3145156 0.74 TSHR (0.44) RAB9AMAPTL3MBTL1NPC1NPSR1
SCHEMBL3149206 0.70 SGMS2 (0.46) MAPTKMT2AMEN1
SCHEMBL3153199 0.69 RAB9A (0.51) RAB9AMAPTKMT2AMEN1VCAM1
SCHEMBL7779674 0.69 RAB9A (0.51) RAB9AMAPTCYP3A4CYP2C19CYP1A2
SCHEMBL3144948 0.69 HSD17B10 (0.41) RAB9AMAPTNPC1NPSR1TSHR
SCHEMBL27821452 0.69 MAPT (0.44) MAPTL3MBTL1CYP3A4CYP2C19CYP1A2

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 5 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
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 2938/4885MAPT 3737/4885L3MBTL1 1606/4885

“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.