SCHEMBL47800

SCHEMBL47800

O=C(OCCc1cc([N+](=O)[O-])c(F)cc1Cl)OCCc1cc([N+](=O)[O-])c(F)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.37
PLA2G1B P04054 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
ABL1 P00519 1/20 0.36
BCR P11274 1/20 0.36
KDM4E B2RXH2 1/20 0.36
RAB9A P51151 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 2/20 0.36
GRIA2 P42262 1/20 0.36
GUSB P08236 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
ATM Q13315 1/20 0.35
VCAM1 P19320 1/20 0.35
ALDH1A1 P00352 5/20 0.34
HIF1A Q16665 1/20 0.34
S1PR4 O95977 1/20 0.34

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
SCHEMBL47799 0.90 GRIA2 (0.38) MAPTPLA2G1BATG4BABL1BCR
SCHEMBL47802 0.90 GRIA2 (0.38) MAPTPLA2G1BATG4BABL1BCR
SCHEMBL17543457 0.81 ATM (0.40) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL29859749 0.81 ATM (0.40) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL17543693 0.78 ATM (0.43) MAPTKDM4ERAB9AMEN1KMT2A
SCHEMBL8915124 0.77 ATM (0.42) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL17434666 0.77 IDO1 (0.33) MAPTRAB9ANPC1ATMLMNA
SCHEMBL9234348 0.77 L3MBTL1 (0.37) MAPTKDM4ETDP1ALDH1A1LMNA
SCHEMBL4276693 0.77 CYP1A2 (0.49) MAPTABL1BCRRAB9AMEN1
SCHEMBL10714238 0.76 TDP1 (0.41) MAPTPLA2G1BATG4BRAB9AMEN1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0650957-A1 ANILINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1995-05-03 EP claimed
JP-5286909-A None JP disclosed
EP-2149586-B1 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 (JP) 2018-01-03 EP 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
EP-2975040-A1 POLYCYCLIC PYRAZOLINONE DERIVATIVE AND HERBICIDE COMPRISING SAME AS EFFECTIVE COMPONENT THEREOF Sagami Chemical Research Institute (JP) 2016-01-20 EP disclosed
US-8128782-B2 Amine epoxy resin curing agent, gas barrier epoxy resin composition comprising the curing agent, coating agent, and adhesive agent for laminate MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2012-03-06 US disclosed
US-20100160494-A1 AMINE EPOXY RESIN CURING AGENT, GAS BARRIER EPOXY RESIN COMPOSITION COMPRISING THE CURING AGENT, COATING AGENT, AND ADHESIVE AGENT FOR LAMINATE MITSUBISHI GAS CHEMICAL COMPANY INC. (JP) 2010-06-24 US disclosed
EP-2149586-A1 AMINE EPOXY RESIN CURING AGENT, GAS BARRIER EPOXY RESIN COMPOSITION COMPRISING THE CURING AGENT, COATING AGENT, AND ADHESIVE AGENT FOR LAMINATE Mitsubishi Gas Chemical Company, Inc. (JP) 2010-02-03 EP disclosed
EP-0950657-B1 Substituted carbazoles, process for their preparation and their use as sPLA2 inhibitors LILLY CO ELI (US) 2004-07-14 EP disclosed
EP-0952149-B1 Substituted carbazoles, process for their preparation and their use as sPLA2 inhibitiors LILLY CO ELI (US) 2004-06-09 EP disclosed
US-6713645-B1 INHIBITING SPLA2 MEDIATED RELEASE OF FATTY ACIDS FOR TREATMENT OF CONDITIONS SUCH AS SEPTIC SHOCK ELI LILLY AND COMPANY 2004-03-30 US disclosed
US-6177440-B1 THERAPY FOR SEPSIS SHOCK; PHOSPHOLIPASE INHBITOR ELI LILLY AND COMPANY 2001-01-23 US disclosed
EP-0952149-A2 Substituted carbazoles, process for their preparation and their use as sPLA2 inhibitiors ELI LILLY AND COMPANY (US) 1999-10-27 EP disclosed
EP-0950657-A2 Substituted carbazoles, process for their preparation and their use as sPLA2 inhibitors ELI LILLY AND COMPANY (US) 1999-10-20 EP disclosed
EP-0650957-A1 ANILINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1995-05-03 EP disclosed
JP-H05286909-A NITRIBENZENE DERIVATIVE AND ITS PRODUCTION SUMITOMO CHEM CO LTD 1993-11-02 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 (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-20160024110-A1 POLYCYCLIC PYRAZOLINONE DERIVATIVE AND HERBICIDE COMPRISING SAME AS EFFECTIVE COMPONENT THEREOF DDT, PDHX, CYP4X1 MAPT 4308/4885PLA2G1B 3053/4885ATG4B 3296/4885

“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.