SCHEMBL2325620

SCHEMBL2325620

NNC(c1ccccc1)[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 5/20 0.39
CTSD P07339 1/20 0.39
MAPT P10636 3/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
GSR P00390 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
NPC1 O15118 1/20 0.36
ADAM17 P78536 1/20 0.36
DPP4 P27487 2/20 0.36
F2 P00734 1/20 0.36
MAPK1 P28482 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
DOT1L Q8TEK3 1/20 0.36

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
SCHEMBL6129084 0.79 GSR (0.42) KMT2ATDP1ALDH1A1LMNAGSR
SCHEMBL27394315 0.79 HTR2A (0.39) MAPTKMT2AKDM4ENPSR1TDP1
Hydrochloric Acid SCHEMBL21219507 0.78 GSR (0.41) KMT2ATDP1ALDH1A1LMNAGSR
SCHEMBL27524142 0.77 ALDH1A1 (0.50) CTSDTDP1ALDH1A1LMNAGSR
SCHEMBL2010202 0.77 NPC1 (0.39) CTSDMAPTKMT2AKDM4ENPSR1
SCHEMBL5677907 0.76 EPHX1 (0.40) MAPTKMT2AKDM4ENPSR1TDP1
SCHEMBL2029476 0.76 MAPT (0.41) MAPTKMT2ANPSR1TDP1ALDH1A1
SCHEMBL5677901 0.76 GSR (0.36) MAPTKMT2AKDM4ENPSR1TDP1
SCHEMBL27997246 0.73 NPSR1 (0.40) CTSDMAPTKMT2ANPSR1TDP1
SCHEMBL1306532 0.72 SIGMAR1 (0.42) MAPTKMT2AKDM4ENPSR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115716803-B Naphthalimide fluorescent probe and application thereof in polarity and viscosity detection 广西大学 2024-05-28 CN disclosed
CN-115716803-A Naphthalimide fluorescent probe and application thereof in polarity and viscosity detection 广西大学 2023-02-28 CN disclosed
CN-101720317-B Process for producing difluoromethyl-substituted pyrazole compound BASF SE 2014-07-09 CN disclosed
US-8188295-B2 Method for producing difluoromethyl-substituted pyrazole compounds BASF SE (DE) 2012-05-29 US disclosed
EP-2158185-B1 METHOD FOR PRODUCING DIFLUOROMETHYL-SUBSTITUTED PYRAZOLE COMPOUNDS BASF SE (DE) 2011-08-17 EP disclosed
US-20100184994-A1 Method for Producing Difluoromethyl-Substituted Pyrazole Compounds BASF SE (DE) 2010-07-22 US disclosed
EP-2158185-A2 METHOD FOR PRODUCING DIFLUOROMETHYL-SUBSTITUTED PYRAZOLE COMPOUNDS Basf Se (DE) 2010-03-03 EP disclosed
WO-2008152138-A2 METHOD FOR PRODUCING DIFLUOROMETHYL-SUBSTITUTED PYRAZOLE COMPOUNDS BASF SE (DE) 2008-12-18 WO disclosed
CN-1159299-C Arylalkylpyridzinones Ĭ��ר���ɷ����޹�˾ 2004-07-28 CN disclosed
CN-1142493-A Arylalkylpyridzinones MERCK PATENT GMBH (DE) 1997-02-12 CN 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-20100184994-A1 Method for Producing Difluoromethyl-Substituted Pyrazole Compounds NR4A1, NR4A3, NR3C1 AOC3 98/4885CTSD 4117/4885MAPT 4870/4885

“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.