SCHEMBL2325614

SCHEMBL2325614

NN(Cc1ccccc1)[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.48
CRHBP P24387 2/20 0.45
CRHR2 Q13324 2/20 0.45
CA2 P00918 1/20 0.44
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
LMNA P02545 5/20 0.42
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TSHR P16473 1/20 0.41
MAPT P10636 2/20 0.39
NR3C1 P04150 1/20 0.38

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
SCHEMBL9265192 0.78 CRHBP (0.47) AOC3CRHBPCRHR2CA2CYP1A2
SCHEMBL8781469 0.78 CRHBP (0.47) AOC3CRHBPCRHR2CA2CYP1A2
SCHEMBL6129082 0.75 CRHBP (0.49) CRHBPCRHR2CYP1A2CYP2D6CYP2C9
SCHEMBL9404109 0.75 ALDH1A1 (0.52) AOC3CRHBPCRHR2CYP1A2CYP2D6
SCHEMBL11745244 0.75 CRHBP (0.50) CRHBPCRHR2CA2CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL21219506 0.73 CRHBP (0.47) CRHBPCRHR2CYP1A2CYP2D6CYP2C9
SCHEMBL2029473 0.73 CRHBP (0.51) CRHBPCRHR2LMNAALDH1A1SMN1; SMN2
SCHEMBL367160 0.73 CRHBP (0.41) AOC3CRHBPCRHR2CA2CYP1A2
SCHEMBL10341803 0.73 CRHBP (0.47) CRHBPCRHR2CYP1A2CYP2C9CYP2C19
SCHEMBL3240019 0.72 CRHBP (0.46) CRHBPCRHR2CYP1A2CYP2D6CYP2C9

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 98/4885CRHBP 2392/4885CRHR2 1303/4885

“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.