SCHEMBL182799

SCHEMBL182799

O=c1ncc2cc([N+](=O)[O-])ccc2o1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.53
PDE3A Q14432 1/20 0.53
MAOB P27338 3/20 0.51
MAOA P21397 1/20 0.51
POLB P06746 3/20 0.50
CA12 O43570 2/20 0.50
CA9 Q16790 2/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
XDH P47989 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 3/20 0.44
NOS1 P29475 1/20 0.44
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL1166469 0.75 MAOA (0.55) MAOBMAOAPOLBCA12CA9
SCHEMBL4075158 0.75 MAPT (0.47) MAOBMAOAPOLBCA12CA9
SCHEMBL28399285 0.73 MAOB (0.56) MAOBMAOAPOLBCA12CA9
SCHEMBL182523 0.73 PDE3B (0.58) PDE3BPDE3AMAOBMAOACA12
SCHEMBL28918547 0.72 KDM4E (0.54) MAOBMAOAPOLBCA12CA9
SCHEMBL18936062 0.71 MAOB (0.55) MAOBMAOAPOLBCA12CA9
SCHEMBL17199261 0.71 MAOB (0.55) MAOBMAOAPOLBCA12CA9
SCHEMBL5177829 0.71 CA12 (0.57) MAOBMAOAPOLBCA12CA9
SCHEMBL12778676 0.71 MAOB (0.55) MAOBMAOAPOLBCA12CA9
SCHEMBL266607 0.71 CA12 (0.57) MAOBMAOAPOLBCA12CA9

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108727367-B Benzoxazinone compound containing pyridopyrimidinedione, preparation method and application thereof, and herbicide composition 山东先达农化股份有限公司 2021-01-05 CN disclosed
US-9975862-B2 Arylpiperazine derivatives and methods of utilizing same REVIVA PHARMACEUTICALS, INC. (US) 2018-05-22 US disclosed
US-20170327477-A1 ARYLPIPERAZINE DERIVATIVES AND METHODS OF UTILIZING SAME REVIVA PHARMACEUTICALS INC (US) 2017-11-16 US disclosed
US-9604944-B2 Arylpiperazine derivatives and methods of utilizing same REVIVA PHARMACEUTICALS, INC. (US) 2017-03-28 US disclosed
EP-2400968-B1 COMPOSITIONS, SYNTHESIS, AND METHODS OF UTILIZING ARYLPIPERAZINE DERIVATIVES REVIVA PHARMACEUTICALS INC (US) 2016-09-28 EP disclosed
US-20160229821-A1 ARYLPIPERAZINE DERIVATIVES AND METHODS OF UTILIZING SAME REVIVA PHARMACEUTICALS INC (US) 2016-08-11 US disclosed
US-9255076-B2 Arylpiperazine derivatives and methods of utilizing same REVIVA PHARMACEUTICALS, INC. (US) 2016-02-09 US disclosed
US-20150166493-A1 ARYLPIPERAZINE DERIVATIVES AND METHODS OF UTILIZING SAME REVIVA PHARMACEUTICALS INC (US) 2015-06-18 US disclosed
US-8980883-B2 Arylpiperazine derivatives and methods of utilizing same REVIVA PHARMACEUTICALS, INC. (US) 2015-03-17 US disclosed
US-20150005298-A1 ARYLPIPERAZINE DERIVATIVES AND METHODS OF UTILIZING SAME REVIVA PHARMACEUTICALS INC (US) 2015-01-01 US disclosed
US-20120220574-A1 METHODS OF UTILIZING ARYLPIPERAZINE DERIVATIVES BHAT LAXMINARAYAN (US) 2012-08-30 US disclosed
US-20120220579-A1 METHODS OF UTILIZING ARYLPIPERAZINE DERIVATIVES BHAT LAXMINARAYAN (US) 2012-08-30 US disclosed
US-8188076-B2 Compositions, synthesis, and methods of utilizing arylpiperazine derivatives REVIVA PHARMACEUTICALS, INC. (US) 2012-05-29 US disclosed
EP-2400968-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF UTILIZING ARYLPIPERAZINE DERIVATIVES Reviva Pharmaceuticals, Inc. (US) 2012-01-04 EP disclosed
WO-2010099502-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF UTILIZING ARYLPIPERAZINE DERIVATIVES REVIVA PHARMACEUTICALS, INC. (US) 2010-09-02 WO disclosed
US-20100216783-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF UTILIZING ARYLPIPERAZINE DERIVATIVES REVIVA PHARMACEUTICALS, INC. 2010-08-26 US disclosed
US-7354915-B2 6-amino-1,4-dihydro-benzo[d][1,3]oxazin-2-ones and analogs useful as progesterone receptor modulators WYETH (US) 2008-04-08 US disclosed
US-20070225281-A1 6-Amino-1,4-dihydro-benzo[d][1,3]oxazin-2-ones and analogs useful as progesterone receptor modulators WYETH (US) 2007-09-27 US disclosed
US-7247625-B2 6-amino-1,4-dihydro-benzo[d][1,3] oxazin-2-ones and analogs useful as progesterone receptor modulators WYETH (US) 2007-07-24 US disclosed
US-20050085470-A1 6-Amino-1,4-dihydro-benzo[d][1,3] oxazin-2-ones and analogs useful as progesterone receptor modulators WYETH 2005-04-21 US 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 (9 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-20170327477-A1 ARYLPIPERAZINE DERIVATIVES AND METHODS OF UTILIZING SAME GRIK5, HTR5A, GRIK2 PDE3B 1029/4885PDE3A 1122/4885MAOB 86/4885
US-20160229821-A1 ARYLPIPERAZINE DERIVATIVES AND METHODS OF UTILIZING SAME GRIK5, HTR5A, GRIK2 PDE3B 1029/4885PDE3A 1122/4885MAOB 86/4885
US-20150005298-A1 ARYLPIPERAZINE DERIVATIVES AND METHODS OF UTILIZING SAME GRIK5, HTR5A, HTR2A PDE3B 1287/4885PDE3A 1321/4885MAOB 110/4885
US-20120220579-A1 METHODS OF UTILIZING ARYLPIPERAZINE DERIVATIVES HTR5A, GRIK5, HTR2A PDE3B 1244/4885PDE3A 1286/4885MAOB 156/4885
US-20120220574-A1 METHODS OF UTILIZING ARYLPIPERAZINE DERIVATIVES HTR5A, GRIK5, HTR2A PDE3B 1244/4885PDE3A 1286/4885MAOB 156/4885
US-20050085470-A1 6-Amino-1,4-dihydro-benzo[d][1,3] oxazin-2-ones and analogs useful as progesterone receptor modulators PGR, FSHR, GPR6 PDE3B 3706/4885PDE3A 3745/4885MAOB 2225/4885
US-20070225281-A1 6-Amino-1,4-dihydro-benzo[d][1,3]oxazin-2-ones and analogs useful as progesterone receptor modulators PGR, FSHR, GPR6 PDE3B 3706/4885PDE3A 3745/4885MAOB 2225/4885
US-20150166493-A1 ARYLPIPERAZINE DERIVATIVES AND METHODS OF UTILIZING SAME GRIK5, HTR5A, HTR2A PDE3B 1287/4885PDE3A 1321/4885MAOB 110/4885
US-20100216783-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF UTILIZING ARYLPIPERAZINE DERIVATIVES GRIK5, HTR5A, KYNU PDE3B 1321/4885PDE3A 1396/4885MAOB 65/4885

“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.