SCHEMBL1883397

SCHEMBL1883397

C=CCOC(=O)c1ccn([N+](=O)[O-])n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.43
ALDH1A1 P00352 3/20 0.38
TSHR P16473 2/20 0.38
HSD17B10 Q99714 2/20 0.38
SNCA P37840 1/20 0.38
RHOA P61586 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPSR1 Q6W5P4 1/20 0.33
MAPT P10636 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33

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
SCHEMBL221953 0.72 AKR1C3 (0.38) TSHRSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL8682493 0.71 TSHR (0.36) CYP3A4TSHRKMT2ASMN1; SMN2NPC1
SCHEMBL4561822 0.70 SMN1; SMN2 (0.37) ALDH1A1TSHRMEN1KMT2AMAPT
SCHEMBL25428552 0.70 CYP3A4 (0.38) CYP3A4ALDH1A1TSHRHSD17B10SNCA
SCHEMBL6217194 0.67 CYP3A4 (0.59) CYP3A4ALDH1A1TSHRHSD17B10SNCA
SCHEMBL221637 0.67 NPC1 (0.38) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL972735 0.67 HPGD (0.43) CYP3A4ALDH1A1TSHRHSD17B10SNCA
SCHEMBL9700739 0.66 KMT2A (0.55) CYP3A4ALDH1A1TSHRSNCAMEN1
SCHEMBL27902698 0.66 SNCA (0.52) CYP3A4ALDH1A1TSHRHSD17B10SNCA
SCHEMBL4594705 0.65 CYP3A4 (0.47) CYP3A4ALDH1A1TSHRHSD17B10SNCA

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 CYP3A4 346/4885ALDH1A1 696/4885TSHR 4708/4885

“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.