SCHEMBL1546955

SCHEMBL1546955

C=Cc1ccc([N+](=O)[O-])c(F)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.58
ATM Q13315 1/20 0.58
ALDH1A1 P00352 3/20 0.43
HIF1A Q16665 1/20 0.43
VCAM1 P19320 2/20 0.41
ALDH5A1 P51649 1/20 0.40
ABAT P80404 1/20 0.40
CYP3A4 P08684 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TSHR P16473 3/20 0.37
ESPL1 Q14674 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
SCHEMBL8552005 0.85 ALDH1A1 (0.56) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL31023049 0.85 ALDH1A1 (0.56) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL29954747 0.83 ATM (0.60) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL572475 0.83 ATM (0.60) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL16958996 0.81 TDP1 (0.58) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL28128776 0.81 TDP1 (0.58) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL27110924 0.79 ATM (0.55) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL16954832 0.78 MAPK1 (0.58) TDP1ALDH1A1VCAM1ALDH5A1ABAT
SCHEMBL5458282 0.78 MAPT (0.51) TDP1ALDH1A1VCAM1ALDH5A1ABAT
SCHEMBL16956776 0.78 CYP19A1 (0.43) TDP1ATMALDH1A1VCAM1ALDH5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
US-8470810-B2 Heterocyclic compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor ABBOTT GMBH & CO. KG (DE) 2013-06-25 US disclosed
US-20110160176-A1 HETEROCYCLIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2011-06-30 US disclosed
EP-2311802-A1 Heterocyclic compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor Abbott GmbH & Co. KG (DE) 2011-04-20 EP disclosed
EP-2311803-A1 Heterocyclic compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor Abbott GmbH & Co. KG (DE) 2011-04-20 EP disclosed
EP-1814849-B1 HETEROCYCLIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO KG (DE) 2011-04-06 EP disclosed
US-7851463-B2 Heterocyclic compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor ABBOTT GMBH & CO. KG (DE) 2010-12-14 US disclosed
US-20080045493-A1 Heterocyclic Compounds Suitable For Treating Disorders That Respond To Modulation Of The Dopamine D3 Receptor ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2008-02-21 US disclosed
CN-101039904-A Is suitable for treating dopamine D3Heterocyclic compounds for receptor-modulated responsive disorders ABBOTT GMBH & CO KG (DE) 2007-09-19 CN disclosed
EP-1814849-A1 HETEROCYCLIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR Abbott GmbH & Co. KG (DE) 2007-08-08 EP disclosed
US-7148224-B2 An enzyme inhibitors of cyclin-dependent kinases, antitumor agents; chemical intermediate synthesis BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-12-12 US disclosed
WO-2006040182-A1 HETEROCYCLIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2006-04-20 WO disclosed
US-20050176719-A1 Novel pyrazinone derivatives MSD K.K. (JP) 2005-08-11 US disclosed
US-6914062-B2 Pyrazinone derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-07-05 US disclosed
EP-1295878-B1 PYRAZINONE DERIVATIVES BANYU PHARMA CO LTD (JP) 2004-09-15 EP disclosed
US-20030203907-A1 An enzyme inhibitors of cyclin-dependent kinases, antitumor agents; chemical intermediate synthesis MSD K.K. (JP) 2003-10-30 US disclosed
EP-1295878-A1 NOVEL PYRAZINONE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-03-26 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-20030203907-A1 An enzyme inhibitors of cyclin-dependent kinases, antitumor agents; chemical intermediate synthesis CDK4, CDK6, CCNI TDP1 2621/4885ATM 502/4885ALDH1A1 1667/4885
US-20110160176-A1 HETEROCYCLIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR DRD3, CHRNA3, CHRM3 TDP1 3845/4885ATM 3923/4885ALDH1A1 1372/4885
US-20050176719-A1 Novel pyrazinone derivatives CDK6, CDK4, CDK16 TDP1 2306/4885ATM 427/4885ALDH1A1 1658/4885
US-20080045493-A1 Heterocyclic Compounds Suitable For Treating Disorders That Respond To Modulation Of The Dopamine D3 Receptor DRD3, MC3R, CHRNA3 TDP1 3949/4885ATM 3967/4885ALDH1A1 1263/4885

“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.