SCHEMBL3149206

SCHEMBL3149206

CNc1c([N+](=O)[O-])ccc(-c2ccccc2OCc2ccccc2)c1C#N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPT P10636 2/20 0.45
HTR1A P08908 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
PDCD1 Q15116 3/20 0.38
CD274 Q9NZQ7 3/20 0.38
PTGER1 P34995 1/20 0.38
CYP19A1 P11511 3/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
CTSV O60911 2/20 0.38
CTSL P07711 2/20 0.38
BRD4 O60885 2/20 0.37
PPIA P62937 1/20 0.37
MYC P01106 1/20 0.36
MAX P61244 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
SCHEMBL3154023 0.84 ALDH1A1 (0.46) MEN1KMT2AMAPT
SCHEMBL13450072 0.81 PTGER1 (0.40) SGMS2MAPTPTGER1BRD4
SCHEMBL21996988 0.79 HTR1A (0.57) SGMS2MEN1KMT2AMAPTHTR1A
SCHEMBL3144948 0.78 HSD17B10 (0.41) MAPT
SCHEMBL3145085 0.77 RAB9A (0.39) KMT2AMAPT
SCHEMBL3149910 0.77 RAB9A (0.44) MEN1KMT2AMAPT
SCHEMBL2411327 0.75 SGMS2 (0.56) SGMS2MEN1KMT2AMAPTHTR1A
SCHEMBL3143576 0.73 RAB9A (0.39) MEN1KMT2AMAPT
SCHEMBL21811346 0.72 SGMS2 (0.47) SGMS2MEN1KMT2AMAPTHTR1A
SCHEMBL3141013 0.71 ATM (0.48) MEN1KMT2AMAPT

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 6 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
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 SGMS2 3592/4885MEN1 3459/4885KMT2A 3625/4885

“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.