SCHEMBL5643188

SCHEMBL5643188

[O]c1cccnc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.48
POLB P06746 1/20 0.47
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
ALDH1A1 P00352 5/20 0.43
MAPT P10636 4/20 0.43
RAB9A P51151 3/20 0.43
KDM4E B2RXH2 2/20 0.43
CTSB P07858 2/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP1A2 P05177 2/20 0.43
HSP90AA1 P07900 2/20 0.43
NPC1 O15118 2/20 0.43
GAA P10253 1/20 0.43
IDO1 P14902 1/20 0.43
TDO2 P48775 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NCOA1 Q15788 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43

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
SCHEMBL294121 0.83 PDE10A (0.58) PDE10APOLBMEN1KMT2AALDH1A1
SCHEMBL29579675 0.83 PDE10A (0.58) PDE10APOLBMEN1KMT2AALDH1A1
SCHEMBL1137437 0.79 MAPT (0.43) PDE10APOLBMEN1KMT2AALDH1A1
Hydrazine SCHEMBL28990400 0.79 PDE10A (0.55) PDE10APOLBMEN1KMT2AALDH1A1
Hydrazine SCHEMBL30355078 0.79 PDE10A (0.55) PDE10APOLBMEN1KMT2AALDH1A1
SCHEMBL5700168 0.77 MEN1 (0.43) PDE10APOLBMEN1KMT2AALDH1A1
SCHEMBL601835 0.77 HTT (0.50) PDE10APOLBMEN1KMT2AALDH1A1
SCHEMBL21847263 0.77 KMT2A (0.43) PDE10APOLBMEN1KMT2AALDH1A1
SCHEMBL541486 0.77 NPC1 (0.51) PDE10APOLBMEN1KMT2AALDH1A1
SCHEMBL251801 0.77 MAPT (0.45) PDE10APOLBMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0498396-B1 N-phenylcarbamate compound, process for preparing the same and biocidal composition for control of harmful organisms ISHIHARA SANGYO KAISHA (JP) 1997-07-16 EP claimed
CN-1065659-A The insecticides of N-phenylcarbamate compound, its preparation method and control harmful organism ISHIHARA SANGYO KAISHA (JP) 1992-10-28 CN claimed
EP-0498396-A2 N-phenylcarbamate compound, process for preparing the same and biocidal composition for control of harmful organisms ISHIHARA SANGYO KAISHA, Ltd. (JP) 1992-08-12 EP claimed
US-9580444-B2 Polycyclic pyrazolinone derivative and herbicide comprising same as effective component thereof SAGAMI CHEMICAL RESEARCH INSTITUTE (JP) 2017-02-28 US disclosed
US-20160024110-A1 POLYCYCLIC PYRAZOLINONE DERIVATIVE AND HERBICIDE COMPRISING SAME AS EFFECTIVE COMPONENT THEREOF KAKEN PHARMACEUTICAL CO., LTD. (JP) 2016-01-28 US disclosed
EP-2975040-A1 POLYCYCLIC PYRAZOLINONE DERIVATIVE AND HERBICIDE COMPRISING SAME AS EFFECTIVE COMPONENT THEREOF Sagami Chemical Research Institute (JP) 2016-01-20 EP disclosed
US-7183296-B2 Anti-HIV pyrazole derivatives ROCHE PALO ALTO LLC (US) 2007-02-27 US disclosed
US-20040192752-A1 Anti-HIV pyrazole derivatives DYMOCK BRIAN WILLIAM (GB) 2004-09-30 US disclosed
US-6699887-B2 ADMINISTERING A THERAPEUTICALLY EFFECTIVE AMOUNT OF A PYRRAZOLE SULFIDE OR ETHER COMPOUND TO TREAT THE HUMAN IMMUNODEFICIENCY VIRUS INFECTION HOFFMANN-LA ROCHE INC. 2004-03-02 US disclosed
EP-1326843-A1 PYRAZOLE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES F. Hoffmann-La Roche AG (CH) 2003-07-16 EP disclosed
US-20030018197-A1 Anti-HIV pyrazole derivatives HOFFMANN-LA ROCHE INC. 2003-01-23 US disclosed
WO-2002030907-A1 PYRAZOLE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES F. HOFFMANN-LA ROCHE AG (CH) 2002-04-18 WO disclosed
EP-0498396-B1 N-phenylcarbamate compound, process for preparing the same and biocidal composition for control of harmful organisms ISHIHARA SANGYO KAISHA (JP) 1997-07-16 EP disclosed
US-5436267-A An O-(N-2-carbamylphenyl)-heterocyclic oxime; insecticides; fungicides; miticides; nematocides; plant growth regulators; herbicides; viricides; attractants ISHIHARA SANGYO KAISHA, LTD. (JP) 1995-07-25 US disclosed
CN-1065659-A The insecticides of N-phenylcarbamate compound, its preparation method and control harmful organism ISHIHARA SANGYO KAISHA (JP) 1992-10-28 CN disclosed
EP-0498396-A2 N-phenylcarbamate compound, process for preparing the same and biocidal composition for control of harmful organisms ISHIHARA SANGYO KAISHA, Ltd. (JP) 1992-08-12 EP 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 (3 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-20040192752-A1 Anti-HIV pyrazole derivatives CYP51A1, TYMP, POLRMT PDE10A 2171/4885POLB 36/4885MEN1 4862/4885
US-20160024110-A1 POLYCYCLIC PYRAZOLINONE DERIVATIVE AND HERBICIDE COMPRISING SAME AS EFFECTIVE COMPONENT THEREOF DDT, PDHX, CYP4X1 PDE10A 1398/4885POLB 4658/4885MEN1 3576/4885
US-20030018197-A1 Anti-HIV pyrazole derivatives CYP51A1, TYMP, POLRMT PDE10A 2171/4885POLB 36/4885MEN1 4862/4885

“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.