SCHEMBL3144948

SCHEMBL3144948

CNc1c([N+](=O)[O-])ccc(-c2ccccc2C)c1C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.41
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 8/20 0.39
MAPT P10636 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 1/20 0.38
TSHR P16473 2/20 0.36
KCNMA1 Q12791 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HPGD P15428 1/20 0.36
LMNA P02545 3/20 0.35
NPSR1 Q6W5P4 1/20 0.34
KDM4E B2RXH2 1/20 0.34
S1PR1 P21453 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
POLB P06746 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
SCHEMBL3145085 0.86 RAB9A (0.39) RAB9AALDH1A1MAPTTDP1HPGD
SCHEMBL3154023 0.84 ALDH1A1 (0.46) HSD17B10RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL3149910 0.83 RAB9A (0.44) RAB9AALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL3143576 0.82 RAB9A (0.39) RAB9AALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL3149206 0.78 SGMS2 (0.46) MAPT
SCHEMBL3141013 0.77 ATM (0.48) RAB9AALDH1A1MAPTSMN1; SMN2TDP1
SCHEMBL894368 0.75 VCAM1 (0.47) RAB9AMAPTTSHRTDP1LMNA
SCHEMBL4710342 0.75 RAB9A (0.45) HSD17B10RAB9AALDH1A1MAPTTSHR
SCHEMBL3149287 0.74 VCAM1 (0.40) RAB9AALDH1A1MAPTSMN1; SMN2TSHR
SCHEMBL4151648 0.70 TSHR (0.60) HSD17B10RAB9AALDH1A1MAPTSMN1; SMN2

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 HSD17B10 533/4885RAB9A 2938/4885ALDH1A1 540/4885

“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.