SCHEMBL710076

SCHEMBL710076

O=[N+]([O-])c1c[c]ccc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
HIF1A Q16665 3/20 0.47
VCAM1 P19320 1/20 0.44
TDP1 Q9NUW8 8/20 0.44
ATM Q13315 1/20 0.44
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
CASP6 P55212 1/20 0.36
MAPT P10636 4/20 0.35
CYP3A4 P08684 3/20 0.35
TSHR P16473 3/20 0.35
POLB P06746 1/20 0.35
ALOX15 P16050 1/20 0.35
LMNA P02545 3/20 0.35
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MITF O75030 1/20 0.35
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CA1 P00915 1/20 0.35

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
SCHEMBL407090 0.83 TDP1 (0.48) ALDH1A1HIF1AVCAM1TDP1ATM
SCHEMBL57882 0.80 TSHR (0.40) ALDH1A1TDP1ATMKMT2AMEN1
SCHEMBL4337113 0.79 ALDH1A1 (0.31) ALDH1A1HIF1A
SCHEMBL6800906 0.78 TDP1 (0.38) ALDH1A1HIF1ATDP1KMT2AMEN1
SCHEMBL58127 0.77 HSD17B10 (0.54) ALDH1A1TDP1MAPTCYP3A4TSHR
SCHEMBL1028967 0.77 TDP1 (0.50) ALDH1A1TDP1KMT2AMEN1MAPT
SCHEMBL247495 0.75 PARP1 (0.41) ALDH1A1TDP1KMT2AMEN1MAPT
SCHEMBL19859 0.75 VCAM1 (0.46) ALDH1A1VCAM1TDP1CYP3A4TSHR
SCHEMBL232839 0.75 TDP1 (0.39) ALDH1A1TDP1KMT2AMEN1MAPT
SCHEMBL2783828 0.75 TDP1 (0.48) ALDH1A1TDP1KMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016049595-A1 HETEROARYL INHIBITORS OF PDE4 Tetra Discovery Partners, LLC (US) 2016-03-31 WO claimed
CN-105400769-A Hybridoma cell strain for anticoagulation factor VIII monoclonal antibody UNIV TSINGHUA 2016-03-16 CN claimed
CN-105349524-A Hybridomas cell strain of anti-human coagulation factor VII polyclonal antibody UNIV TSINGHUA 2016-02-24 CN claimed
CN-105349495-A Hybridomas cell strain of anti-human coagulation factor IX monoclonal antibody UNIV TSINGHUA 2016-02-24 CN claimed
CN-105349496-A Hybridomas cell strain of anti-human macroglobulin monoclonal antibody UNIV TSINGHUA 2016-02-24 CN claimed
CN-105349497-A Hybridomas cell strain of anti-human alpha-antitrysin polyclonal antibody UNIV TSINGHUA 2016-02-24 CN claimed
US-9221761-B2 Method for inhibition of deubiquitinating activity VIVOLUX AB (SE) 2015-12-29 US claimed
CN-103391935-B Diaminopyrimidine derivatives and process for preparing same Liu Hanyangxing (KR) 2015-12-23 CN claimed
CN-102548970-B Novel (6-oxo-1, 6-dihydropyrimidin-2-yl) amide derivatives, process for their preparation and their medical use as akt (pkb) phosphorylation inhibitors SAI NUOFEI (FR) 2015-11-25 CN claimed
CN-103402997-B Diaminopyrimidine derivatives and process for preparing same Liu Hanyangxing (KR) 2015-08-26 CN claimed
WO-2003095396-A2 N,N,-SUBSTITUTED S-ARYL-ISOTHIOUREAS, N,N,N'-SUBSTITUTED S-ARYL-ISOTHIOUREAS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (US) 2003-11-20 WO claimed
US-20030171330-A1 Antibacterial compound SANKYO COMPANY, LIMITED (JP) 2003-09-11 US claimed
EP-1218343-A4 PYRIDINE CARBOXAMIDE OR SULFONAMIDE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2003-06-18 EP claimed
CN-1382152-A Novel A-500359 derivatives SANKYO CO (JP) 2002-11-27 CN claimed
EP-1218343-A1 PYRIDINE CARBOXAMIDE OR SULFONAMIDE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-07-03 EP claimed
EP-1209166-A1 NOVEL A-500359 DERIVATIVES Sankyo Company, Limited (JP) 2002-05-29 EP claimed
WO-2001025203-A1 PYRIDINE CARBOXAMIDE OR SULFONAMIDE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-04-12 WO claimed
EP-0175973-B1 SUPPORT MATERIAL FOR THE USE IN IMMUNOASSAYS ORPEGEN Medizinisch-Molekularbiologische Forschungsgesellschaft m.b.H (DE) 1989-11-08 EP claimed
EP-0012822-B1 3,4-DISUBSTITUTED 2-PHENYLIMINO-IMIDAZOLIDINES, THEIR ACID ADDITION SALTS, PHARMACEUTICAL PREPARATIONS CONTAINING THEM AND PROCESS FOR THEIR PRODUCTION C.H. BOEHRINGER SOHN (DE) 1982-12-01 EP claimed
EP-0012822-A1 3,4-Disubstituted 2-phenylimino-imidazolidines, their acid addition salts, pharmaceutical preparations containing them and process for their production C.H. BOEHRINGER SOHN (DE) 1980-07-09 EP claimed

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-20030171330-A1 Antibacterial compound TLR1, MPO, O60361 ALDH1A1 356/4885HIF1A 190/4885VCAM1 1179/4885

“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.