SCHEMBL194408

SCHEMBL194408

NCc1ccc(F)cc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
PDE7A Q13946 1/20 0.46
ALDH1A1 P00352 3/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 2/20 0.41
MAPK1 P28482 1/20 0.41
HSPB1 P04792 3/20 0.41
CYP1A2 P05177 1/20 0.40
SNCA P37840 1/20 0.39
HIF1A Q16665 1/20 0.39
MPO P05164 1/20 0.39
KCNMA1 Q12791 1/20 0.38
PRKCQ Q04759 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
MEN1 O00255 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL2891144 0.85 TDP1 (0.58) ATMTDP1PDE7AALDH1A1HTT
SCHEMBL4086162 0.84 ATM (0.53) ATMTDP1PDE7AALDH1A1HTT
SCHEMBL1170113 0.82 ATM (0.50) ATMTDP1PDE7AALDH1A1HTT
SCHEMBL23648164 0.81 TDP1 (0.53) ATMTDP1PDE7AALDH1A1HTT
SCHEMBL1972244 0.81 ATM (0.53) ATMTDP1PDE7AALDH1A1HTT
SCHEMBL30074087 0.81 ATM (0.53) ATMTDP1PDE7AALDH1A1HTT
SCHEMBL6520096 0.81 TDP1 (0.53) ATMTDP1PDE7AALDH1A1HTT
SCHEMBL20560688 0.81 ALDH1A1 (0.56) ATMTDP1PDE7AALDH1A1HTT
SCHEMBL14714241 0.81 TDP1 (0.57) TDP1ALDH1A1L3MBTL1MAPTCYP1A2
SCHEMBL3401772 0.80 TDP1 (0.52) ATMTDP1PDE7AALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0639196-A1 NEW HERBICIDES Novartis AG (CH) 1995-02-22 EP claimed
EP-2400961-B1 MEDICINE COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS BOEHRINGER INGELHEIM INT (DE) 2017-11-22 EP disclosed
EP-2205609-B1 HETEROCYCLE SUBSTITUTED PIPERAZINO DIHYDROTHIENO PYRIMIDINES BOEHRINGER INGELHEIM INT (DE) 2017-03-29 EP disclosed
US-9115142-B2 Heterocycle-substituted piperazino-dihydrothienopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-08-25 US disclosed
US-8877758-B2 Combinations of medicaments, containing PDE4-inhibitors and EP4-receptor-antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-04 US disclosed
US-8759326-B2 Drug combinations containing PDE4 inhibitors and NSAIDs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-24 US disclosed
US-20140107103-A1 HETEROCYCLE-SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-04-17 US disclosed
US-20140031343-A1 DRUG COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-30 US disclosed
US-8637519-B2 Heterocycle-substituted piperazino-dihydrothienopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-28 US disclosed
US-8592400-B2 Drug combinations containing PDE4 inhibitors and NSAIDs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-26 US disclosed
EP-1794154-A1 HETEROARYL COMPOUNDS FOR USE AS BETAMIMETICS IN THE TREATMENT OF RESPIRATORY DISEASES Boehringer Ingelheim International GmbH (DE) 2007-06-13 EP disclosed
CN-1901917-A (3-oxo-3, 4-dihydro-quinoxalin-2-yl-amino) -benzamide derivatives and related compounds as glycogen phosphorylase inhibitors for the treatment of diabetes and obesity JANSSEN PHARMACEUTICA NV (BE) 2007-01-24 CN disclosed
EP-1711184-A1 (3-OXO-3,4-DIHYDRO-QUINOXALIN-2-YL-AMINO)-BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS GLYCOGEN PHOSPHORYLASE INHIBITORS FOR THE TREATMENT OF DIABETES AND OBESITY JANSSEN PHARMACEUTICA N.V. (BE) 2006-10-18 EP disclosed
WO-2006032627-A1 HETEROARYL COMPOUNDS FOR USE AS BETAMIMETICS IN THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-03-30 WO disclosed
US-20060063817-A1 New betamimetics for the treatment of respiratory complaints BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-03-23 US disclosed
WO-2005067932-A1 (3-OXO-3, 4-DIHYDRO-QUINOXALIN-2-YL-AMINO) -BENZAMIDE DERIVATIVES AND RELATED COMPOUND AS GLYCOGEN PHOSPHORYLASE INHIBITORS FOR THE TREATMENT OF DIABETES AND OBESITY JANSSEN PHARMACEUTICA, N.V. (BE) 2005-07-28 WO disclosed
US-20050148586-A1 Quinoxalinones JANSSEN PHARMACEUTICA, N.V. (BE) 2005-07-07 US disclosed
EP-0382687-B1 Benzofused-N-containing heterocycle derivatives BOEHRINGER INGELHEIM ITALIA (IT) 1995-12-27 EP disclosed
US-5106851-A Respiratory system disorders ISTITUTO DE ANGELI S.P.A. (IT) 1992-04-21 US disclosed
EP-0382687-A2 Benzofused-N-containing heterocycle derivatives BOEHRINGER INGELHEIM ITALIA S.p.A. (IT) 1990-08-16 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 (4 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-20060063817-A1 New betamimetics for the treatment of respiratory complaints CHRM1, ADRB1, ADRA1B ATM 2863/4885TDP1 1663/4885PDE7A 1200/4885
US-20140031343-A1 DRUG COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS PTGER4, PDE4A, PDE12 ATM 1565/4885TDP1 1720/4885PDE7A 31/4885
US-20140107103-A1 HETEROCYCLE-SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES HRH2, HRH1, HRH4 ATM 2904/4885TDP1 2672/4885PDE7A 3737/4885
US-20050148586-A1 Quinoxalinones SLC5A2, GPR119, GLS2 ATM 3501/4885TDP1 4015/4885PDE7A 290/4885

“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.