SCHEMBL810673

SCHEMBL810673

CCOC(=O)Oc1cc([N+](=O)[O-])c(F)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CUL4A Q13619 1/20 0.45
MAPT P10636 6/20 0.40
ALDH1A1 P00352 5/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 2/20 0.40
LMNA P02545 2/20 0.40
GALR2 O43603 1/20 0.40
MITF O75030 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HPGD P15428 1/20 0.40
XBP1 P17861 1/20 0.40
CCR6 P51684 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
VCAM1 P19320 1/20 0.39
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
THRB P10828 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL31047098 1.00 CUL4A (0.45) CUL4AMAPTALDH1A1SMN1; SMN2POLB
SCHEMBL24453320 0.90 POLB (0.45) CUL4AMAPTALDH1A1SMN1; SMN2POLB
SCHEMBL810412 0.88 ALDH1A1 (0.43) MAPTALDH1A1SMN1; SMN2POLBLMNA
SCHEMBL8760591 0.87 TDP1 (0.40) MAPTALDH1A1SMN1; SMN2LMNAMITF
SCHEMBL8084425 0.86 TSHR (0.40) CUL4AMAPTALDH1A1SMN1; SMN2POLB
SCHEMBL2030437 0.85 CUL4A (0.42) CUL4AMAPTALDH1A1POLBLMNA
SCHEMBL4306866 0.84 ALDH1A1 (0.47) MAPTALDH1A1SMN1; SMN2POLBLMNA
SCHEMBL18306134 0.84 CUL4A (0.45) CUL4AMAPTALDH1A1SMN1; SMN2POLB
SCHEMBL18342871 0.82 MAPT (0.52) MAPTALDH1A1SMN1; SMN2LMNAMITF
SCHEMBL17466056 0.82 LMNA (0.40) MAPTALDH1A1SMN1; SMN2LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6025122-A None JP disclosed
JP-9216853-A None JP disclosed
US-9580444-B2 Polycyclic pyrazolinone derivative and herbicide comprising same as effective component thereof SAGAMI CHEMICAL RESEARCH INSTITUTE (JP) 2017-02-28 US disclosed
US-20160024110-A1 POLYCYCLIC PYRAZOLINONE DERIVATIVE AND HERBICIDE COMPRISING SAME AS EFFECTIVE COMPONENT THEREOF KAKEN PHARMACEUTICAL CO., LTD. (JP) 2016-01-28 US disclosed
WO-2014142307-A1 POLYCYCLIC PYRAZOLINONE DERIVATIVE AND HERBICIDE COMPRISING SAME AS EFFECTIVE COMPONENT THEREOF 公益財団法人相模中央化学研究所 (JP) 2014-09-18 WO disclosed
CN-101679611-B Amine epoxy resin curing agent, gas barrier epoxy resin composition comprising the curing agent, coating agent, and adhesive agent for laminate MITSUBISHI GAS CHEMICAL CO 2013-01-09 CN disclosed
EP-1971611-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-10-10 EP disclosed
US-8236950-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-08-07 US disclosed
EP-2345652-A1 Antiviral compounds Abbott Laboratories (US) 2011-07-20 EP disclosed
US-20110160233-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-30 US disclosed
WO-2008133753-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2008-11-06 WO disclosed
EP-1971611-A1 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-09-24 EP disclosed
US-20070197558-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-08-23 US disclosed
WO-2007081517-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-19 WO disclosed
CN-1268509-A Substituted phenyl heterocyclic compound weedicide JIANGSU PROV INST OF PESTICIDE (CN) 2000-10-04 CN disclosed
JP-H09216853-A DIHALOPHENYLCABONATE DERIVATIVE SAGAMI CHEM RES CENTER 1997-08-19 JP disclosed
EP-0650957-A4 ANILINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME. SUMITOMO CHEMICAL CO (JP) 1995-08-09 EP disclosed
EP-0650957-A1 ANILINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1995-05-03 EP disclosed
WO-1994021597-A1 ANILINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME SUMITOMO CHEMICAL COMPANY, LTD. (JP) 1994-09-29 WO disclosed
JP-H0625122-A ANILINE DERIVATIVE AND ITS PRODUCTION SUMITOMO CHEM CO LTD 1994-02-01 JP 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 (3 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-20110160233-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 CUL4A 17/4885MAPT 1347/4885ALDH1A1 2723/4885
US-20160024110-A1 POLYCYCLIC PYRAZOLINONE DERIVATIVE AND HERBICIDE COMPRISING SAME AS EFFECTIVE COMPONENT THEREOF DDT, PDHX, CYP4X1 CUL4A 247/4885MAPT 4308/4885ALDH1A1 596/4885
US-20070197558-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 CUL4A 17/4885MAPT 1347/4885ALDH1A1 2723/4885

“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.