SCHEMBL301080

SCHEMBL301080

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

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.34
ATM Q13315 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HIF1A Q16665 1/20 0.33
VCAM1 P19320 1/20 0.32
CYP3A4 P08684 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL28088340 0.78 TDP1 (0.36) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL28545972 0.78 ALDH1A1 (0.36) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL25356732 0.78 GPR35 (0.36) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL18478 0.78 TSHR (0.42) TDP1ATMALDH1A1CYP3A4MEN1
SCHEMBL9789548 0.76 ALDH1A1 (0.42) TDP1ALDH1A1VCAM1CYP3A4
SCHEMBL3047388 0.76 GPR35 (0.46) TDP1ALDH1A1HIF1ACYP3A4
SCHEMBL7646276 0.76 ABCC8 (0.36) TDP1ALDH1A1
SCHEMBL2075135 0.73 MAPT (0.36) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL10731966 0.73 ALDH1A1 (0.39) TDP1ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021087048-A1 CROSS-LINKED POLYROTAXANES AND THEIR APPLICATION IN CEMENT SAUDI ARABIAN OIL COMPANY (SA) 2021-05-06 WO claimed
US-20210130676-A1 CROSS-LINKED POLYROTAXANES AND THEIR APPLICATION IN CEMENT SAUDI ARABIAN OIL COMPANY (SA) 2021-05-06 US 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
WO-2001036434-A1 PREPARATION OF A MACROCYCLIC LACTONE SYNGENTA PARTICIPATIONS AG (CH) 2001-05-25 WO disclosed
WO-2000035865-A2 TUBULIN-BINDING AGENTS TULARIK INC. (US) 2000-06-22 WO disclosed
US-5494815-A POLYMER CROSSLINKED BY RADIATION OR PEROXIDE TO FORM EPOXIDE GROUPS WHICH REACT WITH SUBSTANCE TO BE IMMOBILIZED; REMAINING EPOXY GROUPS STABILIZED WITH AMINE, CARBOXY OR AMINOACID COMPONENTS SIEMENS AKTIENGESELLSCHAFT (DE) 1996-02-27 US disclosed
US-5407818-A Selective detection of enzymes SIEMENS AKTIENGESELLSCHAFT (DE) 1995-04-18 US disclosed
US-5389533-A Applying to carrier and crosslinking with high energy radiation or peroxide; stabilization of unreacted epoxy groups SIEMENS AKTIENGESELLSCHAFT (DE) 1995-02-14 US disclosed
US-5389534-A Applied to carrier and crosslinked with high energy radiation or peroxide; stabilized unreacted epoxy groups SIEMENS AKTIENGESELLSCHAFT (DE) 1995-02-14 US 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

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 TDP1 2662/4885ATM 2987/4885ALDH1A1 460/4885

“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.