SCHEMBL407090

SCHEMBL407090

O=[N+]([O-])c1cc[c]cc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.48
ATM Q13315 1/20 0.48
HIF1A Q16665 3/20 0.42
ALDH1A1 P00352 2/20 0.42
VCAM1 P19320 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
CASP6 P55212 1/20 0.36
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
CES1 P23141 1/20 0.35
GPR35 Q9HC97 2/20 0.34
CYP3A4 P08684 3/20 0.34
TSHR P16473 3/20 0.34
TP53 P04637 2/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
TTR P02766 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GMNN O75496 1/20 0.34

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
SCHEMBL710076 0.83 ALDH1A1 (0.47) TDP1ATMHIF1AALDH1A1VCAM1
SCHEMBL57882 0.80 TSHR (0.40) TDP1ATMALDH1A1KMT2AMEN1
SCHEMBL3094059 0.79
SCHEMBL29172280 0.75 PARP1 (0.37) TDP1ATMALDH1A1KMT2AMEN1
SCHEMBL458354 0.75 HSD17B10 (0.52) TDP1ALDH1A1GPR35CYP3A4TSHR
SCHEMBL232701 0.75 ALDH1A1 (0.37) TDP1ALDH1A1KMT2AMEN1BCHE
SCHEMBL158733 0.75 GPR35 (0.47) TDP1HIF1AALDH1A1KMT2AMEN1
SCHEMBL2783828 0.75 TDP1 (0.48) TDP1ALDH1A1KMT2AMEN1GPR35
SCHEMBL231697 0.75 TSHR (0.48) TDP1HIF1AALDH1A1VCAM1KMT2A
SCHEMBL317776 0.75 CYP3A4 (0.42) TDP1HIF1AALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2389066-B1 CYCLOPENTADIONE DERIVED HERBICIDES SYNGENTA LTD (GB) 2017-07-05 EP claimed
US-8895474-B2 Herbicidally active cyclopentanediones and derivatives thereof, and their use in controlling weeds SYNGENTA LIMITED (GB) 2014-11-25 US claimed
EP-1648886-B1 BENZOXAZINONE-DERIVED SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS ESTEVE LABOR DR (ES) 2009-12-09 EP claimed
JP-2008518889-A 2008-06-05 JP claimed
US-7291642-B2 Bradykinin-B1 antagonists, process for their preparation and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-06 US claimed
EP-1812405-A1 NOVEL BRADYKININ B1 ANTAGONISTS, METHOD FOR PRODUCING THE SAME AND THE USE THEREOF AS DRUGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-08-01 EP claimed
US-20070032482-A1 Benzoxazinone-derived sulfonamide compounds, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2007-02-08 US claimed
US-7166592-B2 Antiinflammatory agents SCHERING AKTIENGESELLSCHAFT (DE) 2007-01-23 US claimed
US-20060100219-A1 Novel bradykinin-B1 antagonists, process for their preparation and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-05-11 US claimed
WO-2006048209-A1 NOVEL BRADYKININ B1 ANTAGONISTS, METHOD FOR PRODUCING THE SAME AND THE USE THEREOF AS DRUGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-05-11 WO claimed
EP-1648886-A1 BENZOXAZINONE-DERIVED SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-04-26 EP claimed
US-20050250806-A1 Nicotinic acetylcholine receptor antagonists in the treatment of restless legs syndrome PFIZER INC 2005-11-10 US claimed
WO-2005014589-A1 BENZOXAZINONE-DERIVED SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE S.A. (DE) 2005-02-17 WO claimed
US-20030236405-A1 A nicotinic acetylcholine receptors, treating neurological and psychological disorders inflamnmatory bowel disease, irritable bowel syndrome, spastic dystonia, pain, vasoconstriction, anxiety, autism, depression, bipolar disorder YOHANNES DANIEL (US) 2003-12-25 US claimed
US-20030134844-A1 Nicontinic acetylcholine receptor antagonists in the treatment of restless legs syndrome PFIZER INC. 2003-07-17 US claimed
US-20020038028-A1 For therapy of neurological and psychological disorders are claimed. YOHANNES DANIEL (US) 2002-03-28 US claimed
US-20020035262-A1 7-hetero-bicyclo[2.2.1]-heptanes YOHANNES DANIEL (US) 2002-03-21 US claimed
EP-0955301-A2 7-aza-bicyclo[2.2.1]-heptane derivatives, their preparation and use according to their affinity for neuronal nicotinic acetylchloline receptors Pfizer Products Inc. (US) 1999-11-10 EP claimed
WO-2024078392-A1 PHOSPHORAMIDATE COMPOUNDS AND USES THEREOF ANRUI BIOMEDICAL TECHNOLOGY (GUANGZHOU) CO., LTD. (CN) 2024-04-18 WO disclosed
EP-0032620-A1 Process for preparing therapeutic 2-arylpropionic acids and esters, and novel arylmethylmalonate esters THE UPJOHN COMPANY (US) 1981-07-29 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 (7 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-20020038028-A1 For therapy of neurological and psychological disorders are claimed. GRIN2C, PNMT, GRIA4 TDP1 1228/4885ATM 2453/4885HIF1A 2462/4885
US-20070032482-A1 Benzoxazinone-derived sulfonamide compounds, their preparation and use as medicaments HTR6, HTR5A, P2RX6 TDP1 3265/4885ATM 3420/4885HIF1A 1489/4885
US-20030236405-A1 A nicotinic acetylcholine receptors, treating neurological and psychological disorders inflamnmatory bowel disease, irritable bowel syndrome, spastic dystonia, pain, vasoconstriction, anxiety, autism, depression, bipolar disorder CHRNA1, CHRNA6, CHRNA2 TDP1 1604/4885ATM 2335/4885HIF1A 2487/4885
US-20020035262-A1 7-hetero-bicyclo[2.2.1]-heptanes GRIN2C, CYP8B1, CYP11B2 TDP1 1072/4885ATM 4113/4885HIF1A 1785/4885
US-20030134844-A1 Nicontinic acetylcholine receptor antagonists in the treatment of restless legs syndrome CHRNA5, CHRNA1, CHRNA7 TDP1 1853/4885ATM 2832/4885HIF1A 3786/4885
US-20060100219-A1 Novel bradykinin-B1 antagonists, process for their preparation and their use as medicaments BDKRB1, BDKRB2, MRGPRX1 TDP1 3983/4885ATM 2464/4885HIF1A 984/4885
US-20050250806-A1 Nicotinic acetylcholine receptor antagonists in the treatment of restless legs syndrome CHRNA5, CHRNA1, CHRNA2 TDP1 1693/4885ATM 2571/4885HIF1A 4243/4885

“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.