SCHEMBL1879617

SCHEMBL1879617

COC(=O)c1nn(CCc2ccccc2)cc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 6/20 0.47
ADORA2A P29274 6/20 0.47
ADORA1 P30542 5/20 0.47
ADORA2B P29275 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
GAA P10253 2/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL4932484 0.93 MEN1 (0.44) MEN1KMT2AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL1876257 0.90 ADORA3 (0.60) ADORA3ADORA2AADORA1ADORA2BMEN1
SCHEMBL1873627 0.88 SMN1; SMN2 (0.47) MEN1KMT2AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL3467509 0.87 ADORA2A (0.47) ADORA3ADORA2AADORA1ADORA2BMEN1
SCHEMBL18131168 0.82 ALDH1A1 (0.50) MEN1KMT2AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL1873933 0.81 ADORA2A (0.52) ADORA3ADORA2AADORA1ADORA2BMEN1
SCHEMBL1880514 0.81 SIGMAR1 (0.41) ADORA3ADORA2AADORA1ALDH1A1RAB9A
SCHEMBL10286734 0.81 L3MBTL1 (0.48) MEN1KMT2AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL12725318 0.80 ALDH1A1 (0.45) MEN1KMT2AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL1881388 0.79 TXNRD1 (0.40) ADORA2AADORA1MEN1KMT2AALDH1A1

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
EP-2059503-B1 AMINOPYRAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, AND COMPOSITION FOR PREVENTING OR TREATING ISCHEMIC DISEASES CONTAINING THE SAME KOREA RES INST CHEM TECH (KR) 2015-08-26 EP disclosed
US-7939550-B2 Aminopyrazole derivatives, process for the preparation thereof, and composition for preventing or treating ischemic diseases containing the same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2011-05-10 US disclosed
US-20100063106-A1 AMINOPYRAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, AND COMPOSITION FOR PREVENTING OR TREATING ISCHEMIC DISEASES CONTAINING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-03-11 US disclosed
EP-2059503-A1 AMINOPYRAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, AND COMPOSITION FOR PREVENTING OR TREATING ISCHEMIC DISEASES CONTAINING THE SAME Korea Research Institute Of Chemical Technology (KR) 2009-05-20 EP disclosed
WO-2008051047-A1 AMINOPYRAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, AND COMPOSITION FOR PREVENTING OR TREATING ISCHEMIC DISEASES CONTAINING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-05-02 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-20100063106-A1 AMINOPYRAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, AND COMPOSITION FOR PREVENTING OR TREATING ISCHEMIC DISEASES CONTAINING THE SAME CASP3, ABAT, AIFM1 ADORA3 78/4885ADORA2A 405/4885ADORA1 252/4885

“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.