SCHEMBL13719902

SCHEMBL13719902

CNc1nc(C)cc(N2CCC(OC(=O)NC(C)(C)C)C2)c1[N+](=O)[O-]

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 2/20 0.34
TTR P02766 2/20 0.33
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 2/20 0.32
HSD17B10 Q99714 2/20 0.32
TSHR P16473 1/20 0.32
MAPT P10636 3/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NTMT1 Q9BV86 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
UGT8 Q16880 1/20 0.32
CCNE1 P24864 2/20 0.31
CDK2 P24941 2/20 0.31
USP2 O75604 1/20 0.31
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL13719288 0.95 MAPT (0.35) SMPD3ALDH1A1KDM4EHSD17B10TSHR
SCHEMBL13719966 0.88 MEN1 (0.34) SMPD3TTRALDH1A1KDM4EHSD17B10
SCHEMBL13719267 0.85 ALDH1A1 (0.38) ALDH1A1KDM4EHSD17B10TSHRMAPT
SCHEMBL13719621 0.85 SMPD3 (0.35) SMPD3TTRALDH1A1KDM4EHSD17B10
SCHEMBL13720109 0.84 ACACB (0.36) MAPT
SCHEMBL13719594 0.83 MEN1 (0.37) SMPD3ALDH1A1KDM4EHSD17B10TSHR
SCHEMBL13719901 0.80 PIM1 (0.42) SMPD3
SCHEMBL13719628 0.79 NTMT1 (0.36) SMPD3ALDH1A1KDM4EHSD17B10TSHR
SCHEMBL13719661 0.79 SMN1; SMN2 (0.35) ALDH1A1MAPTMEN1NPC1RAB9A
SCHEMBL12518926 0.76 BTK (0.45) HSD17B10TSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2524917-B1 FUSED PYRIDINE DERIVATIVES SIHUAN PHARMACEUTICAL HOLDINGS GROUP LTD (CN) 2018-06-27 EP disclosed
US-8680089-B2 Fused pyridine derivatives Xuanzhu Pharma Co., Ltd. (CN) 2014-03-25 US disclosed
EP-2524917-A1 FUSED PYRIDINE DERIVATIVES Xuanzhu Pharmaco., Ltd. (CN) 2012-11-21 EP disclosed
US-20120289497-A1 FUSED PYRIDINE DERIVATIVES Xuanzhu Pharma Co., Ltd. (CN) 2012-11-15 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-20120289497-A1 FUSED PYRIDINE DERIVATIVES GPR119, INSR, IAPP SMPD3 2430/4885TTR 2009/4885ALDH1A1 2219/4885

“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.