SCHEMBL3598727

SCHEMBL3598727

Nc1nc(N2CCCC2)ccc1[N+](=O)[O-]

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.69
ALDH1A1 P00352 8/20 0.69
POLB P06746 4/20 0.69
MAPK1 P28482 2/20 0.69
TDP1 Q9NUW8 1/20 0.69
LMNA P02545 3/20 0.53
ALOX12 P18054 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CYP1A2 P05177 3/20 0.46
CYP2C19 P33261 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP2C9 P11712 2/20 0.45
CTSB P07858 1/20 0.45
AR P10275 1/20 0.45
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
TNNI3 P19429 1/20 0.44
TNNT2 P45379 1/20 0.44
TNNC1 P63316 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL2416849 1.00 MAPT (0.69) MAPTALDH1A1POLBMAPK1TDP1
SCHEMBL20089103 0.98 ALDH1A1 (0.72) MAPTALDH1A1POLBMAPK1TDP1
SCHEMBL29545794 0.86 MAPT (0.56) MAPTALDH1A1POLBMAPK1TDP1
SCHEMBL3568875 0.86 SIRT6 (0.56) MAPTALDH1A1POLBMAPK1TDP1
SCHEMBL15971829 0.86 MAPT (0.52) MAPTALDH1A1POLBMAPK1TDP1
SCHEMBL29656802 0.86 SIRT6 (0.56) MAPTALDH1A1POLBMAPK1TDP1
SCHEMBL939117 0.86 ALDH1A1 (0.54) MAPTALDH1A1POLBMAPK1TDP1
SCHEMBL30574858 0.86 ALDH1A1 (0.54) MAPTALDH1A1POLBMAPK1TDP1
SCHEMBL29656880 0.86 MAPT (0.52) MAPTALDH1A1POLBMAPK1TDP1
SCHEMBL113743 0.84 MAPT (0.50) MAPTALDH1A1POLBMAPK1TDP1

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
US-8080547-B2 Triazolopyridine carboxamide derivatives and triazolopyrimidine carboxamide derivatives, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2011-12-20 US disclosed
US-20100041651-A1 TRIAZOLOPYRIDINE CARBOXAMIDE DERIVATIVES AND TRIAZOLOPYRIMIDINE CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-02-18 US disclosed
EP-2146990-A1 TRIAZOLOPYRIDINE CARBOXAMIDE DERIVATIVES AND TRIAZOLOPYRIMIDINE CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2010-01-27 EP disclosed
WO-2008145839-A1 TRIAZOLOPYRIDINE CARBOXAMIDE DERIVATIVES AND TRIAZOLOPYRIMIDINE CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2008-12-04 WO 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-20100041651-A1 TRIAZOLOPYRIDINE CARBOXAMIDE DERIVATIVES AND TRIAZOLOPYRIMIDINE CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF FLT3, GLP1R, GLS MAPT 2893/4885ALDH1A1 358/4885POLB 3277/4885

“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.