SCHEMBL376864

SCHEMBL376864

C=Cc1ccc([N+](=O)[O-])cc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
HIF1A Q16665 1/20 0.52
TXNRD1 Q16881 1/20 0.44
TXNRD3 Q86VQ6 1/20 0.44
TXNRD2 Q9NNW7 1/20 0.44
ERN1 O75460 1/20 0.43
KMT2A Q03164 4/20 0.43
MAPT P10636 2/20 0.42
MEN1 O00255 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP3A4 P08684 1/20 0.42
NAMPT P43490 1/20 0.42
XDH P47989 1/20 0.42
TSHR P16473 2/20 0.42
LMNA P02545 2/20 0.42
TDP1 Q9NUW8 4/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL4647893 0.85 ALDH1A1 (0.56) ALDH1A1HIF1ATXNRD1TXNRD3TXNRD2
SCHEMBL30648783 0.85 ALDH1A1 (0.56) ALDH1A1HIF1ATXNRD1TXNRD3TXNRD2
SCHEMBL1591294 0.83 ERN1 (0.58) ALDH1A1HIF1ATXNRD1TXNRD3TXNRD2
SCHEMBL5923822 0.81 ALDH1A1 (0.52) ALDH1A1HIF1ATXNRD1TXNRD3TXNRD2
SCHEMBL6410654 0.79 ALDH1A1 (0.57) ALDH1A1HIF1ATXNRD1TXNRD3TXNRD2
SCHEMBL30929373 0.79 ALDH1A1 (0.57) ALDH1A1HIF1ATXNRD1TXNRD3TXNRD2
SCHEMBL28017299 0.79 TXNRD1 (0.46) ALDH1A1TXNRD1TXNRD3TXNRD2ERN1
SCHEMBL13092117 0.79 ALDH1A1 (0.49) ALDH1A1HIF1ATXNRD1TXNRD3TXNRD2
SCHEMBL38663477 0.78 HSD17B10 (0.60) ALDH1A1TXNRD1TXNRD3TXNRD2ERN1
SCHEMBL526878 0.78 HSD17B10 (0.60) ALDH1A1TXNRD1TXNRD3TXNRD2ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3239150-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2020-02-05 EP disclosed
US-10202376-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-02-12 US disclosed
US-20170362223-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-12-21 US disclosed
EP-3239150-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2017-11-01 EP disclosed
US-9624209-B2 Substituted phenylureas and phenylamides as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2017-04-18 US disclosed
US-9624209-B2 Substituted phenylureas and phenylamides as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2017-04-18 US disclosed
US-20150099728-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands MEDIFRON DBT INC. (KR) 2015-04-09 US disclosed
US-20150099728-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands MEDIFRON DBT INC. (KR) 2015-04-09 US disclosed
US-8946204-B2 Substituted phenylureas and phenylamides as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2015-02-03 US disclosed
US-8946204-B2 Substituted phenylureas and phenylamides as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2015-02-03 US disclosed
WO-2009032123-A2 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS SCHERING CORPORATION (US) 2009-03-12 WO disclosed
WO-2009032124-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2009-03-12 WO disclosed
WO-2009032124-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2009-03-12 WO 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
EP-1660488-A1 NOVEL ANTIMICROBIAL ARYLOXAZOLIDINONE COMPOUNDS Warner-Lambert Company LLC (US) 2006-05-31 EP 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-20050065187-A1 Novel antimicrobial aryloxazolidinone compounds GORDEEV MIKHAIL FEDOROVICH (US) 2005-03-24 US disclosed
WO-2005019214-A1 NOVEL ANTIMICROBIAL ARYLOXAZOLIDINONE COMPOUNDS WARNER-LAMBERT COMPANY LLC (US) 2005-03-03 WO 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 (5 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-20150099728-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands TRPV1, TRPV5, TRPV6 ALDH1A1 2943/4885HIF1A 1967/4885TXNRD1 3085/4885
US-10202376-B2 Heterocyclic compound GRIN2A, GRIN1, GRIN2B ALDH1A1 2297/4885HIF1A 3409/4885TXNRD1 3852/4885
US-20080045493-A1 Heterocyclic Compounds Suitable For Treating Disorders That Respond To Modulation Of The Dopamine D3 Receptor DRD3, MC3R, CHRNA3 ALDH1A1 1263/4885HIF1A 3554/4885TXNRD1 1103/4885
US-20050065187-A1 Novel antimicrobial aryloxazolidinone compounds XDH, NQO1, MPO ALDH1A1 723/4885HIF1A 4466/4885TXNRD1 259/4885
US-20170362223-A1 HETEROCYCLIC COMPOUND GRIN2A, GRIN1, GRIN2B ALDH1A1 2297/4885HIF1A 3409/4885TXNRD1 3852/4885

“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.