SCHEMBL301081

SCHEMBL301081

O=[N+]([O-])c1cc[c]c(F)c1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.41
GPR35 Q9HC97 3/20 0.41
TDP1 Q9NUW8 5/20 0.38
ATM Q13315 1/20 0.38
ALDH1A1 P00352 3/20 0.37
HIF1A Q16665 2/20 0.37
TXNRD1 Q16881 1/20 0.36
TXNRD3 Q86VQ6 1/20 0.36
TXNRD2 Q9NNW7 1/20 0.36
VCAM1 P19320 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
CES1 P23141 1/20 0.34
TP53 P04637 2/20 0.33
HPGD P15428 2/20 0.33
MAPK1 P28482 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HSD17B10 Q99714 2/20 0.32

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
SCHEMBL8938816 0.82 TDP1 (0.35) TSHRGPR35TDP1ATMALDH1A1
SCHEMBL27650277 0.78 TDP1 (0.41) TSHRGPR35TDP1ATMALDH1A1
SCHEMBL18478 0.78 TSHR (0.42) TSHRGPR35TDP1ATMALDH1A1
SCHEMBL11049111 0.76 TSHR (0.41) TSHRGPR35TDP1ALDH1A1TXNRD1
SCHEMBL2289877 0.76 TSHR (0.50) TSHRGPR35TDP1ALDH1A1TXNRD1
SCHEMBL3888842 0.76 GPR35 (0.50) TSHRGPR35TDP1ALDH1A1HIF1A
SCHEMBL7646278 0.76 TSHR (0.38) TSHRGPR35TDP1ALDH1A1HIF1A
SCHEMBL2075134 0.73 TDP1 (0.45) TSHRGPR35TDP1ATMALDH1A1
SCHEMBL4310749 0.73 BCHE (0.40) TSHRGPR35TDP1ATMALDH1A1
SCHEMBL8011546 0.73 ALDH1A1 (0.44) TDP1ALDH1A1MEN1KMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210130676-A1 CROSS-LINKED POLYROTAXANES AND THEIR APPLICATION IN CEMENT SAUDI ARABIAN OIL COMPANY (SA) 2021-05-06 US claimed
WO-2021087048-A1 CROSS-LINKED POLYROTAXANES AND THEIR APPLICATION IN CEMENT SAUDI ARABIAN OIL COMPANY (SA) 2021-05-06 WO claimed
EP-1658503-B1 CHEMILUMINESCENT COMPOUNDS MOLECULAR LIGHT TECH RES LTD (GB) 2009-11-18 EP claimed
US-20070166759-A1 Chemiluminescent compounds GEN-PROBE CARDIFF, LTD. (GB) 2007-07-19 US claimed
EP-1658503-A1 CHEMILUMINESCENT COMPOUNDS Molecular Light Technology Research Limited (GB) 2006-05-24 EP claimed
WO-2005022161-A1 CHEMILUMINESCENT COMPOUNDS MOLECULAR LIGHT TECHNOLOGY RESEARCH LIMITED (GB) 2005-03-10 WO claimed
WO-2000035865-A2 TUBULIN-BINDING AGENTS TULARIK INC. (US) 2000-06-22 WO claimed
US-20240222102-A1 APOLIPOPROTEIN E ISOTYPE DETECTION BY MASS SPECTROMETRY QUEST DIAGNOSTICS INVESTMENTS LLC (US) 2024-07-04 US disclosed
CN-118225957-A Method for detecting chromogranin A by mass spectrometry 奎斯特诊断投资有限公司 2024-06-21 CN disclosed
US-20240168039-A1 METHODS FOR DETECTING VITAMIN D METABOLITES BY MASS SPECTROMETRY QUEST DIAGNOSTICS INVEST LLC (US) 2024-05-23 US disclosed
CN-112119310-B Method for detecting chromogranin A by mass spectrometry 奎斯特诊断投资有限公司 2024-04-09 CN disclosed
US-20240110899-A1 METHODS FOR DETECTING CHROMOGRANIN A BY MASS SPECTROMETRY QUEST DIAGNOSTICS INVESTMENTS LLC (US) 2024-04-04 US disclosed
CN-117761323-A Detection of amyloid beta by mass spectrometry 奎斯特诊断投资有限公司 2024-03-26 CN disclosed
EP-0592242-A1 Fibrin sealant compositions and method for utilizing same E.R. SQUIBB & SONS, INC. (US) 1994-04-13 EP disclosed
EP-0562373-A2 Immobilisation of biochemical substances SIEMENS AKTIENGESELLSCHAFT (DE) 1993-09-29 EP disclosed
EP-0562370-A2 Biosensor SIEMENS AKTIENGESELLSCHAFT (DE) 1993-09-29 EP disclosed
EP-0562371-A2 Immobilisation of biochemical substances SIEMENS AKTIENGESELLSCHAFT (DE) 1993-09-29 EP disclosed
EP-0562372-A2 Biosensor SIEMENS AKTIENGESELLSCHAFT (DE) 1993-09-29 EP disclosed
US-5183749-A One step fermentation for carrying out hydroxylation or epoxidation or both reactions SANKYO COMPANY, LTD. (JP) 1993-02-02 US disclosed
EP-0356384-A2 Recycling of sulfuric-acid waste with the aid of a biological process CIBA-GEIGY AG (CH) 1990-02-28 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 (1 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-20070166759-A1 Chemiluminescent compounds CBR3, CBR1, LTC4S TSHR 127/4885GPR35 1168/4885TDP1 2662/4885

“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.