SCHEMBL2875677

SCHEMBL2875677

O=C(O)CCC(=O)c1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 2/20 0.64
ALDH1A1 P00352 6/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MAPT P10636 4/20 0.51
HPGD P15428 2/20 0.51
LMNA P02545 1/20 0.51
RAF1 P04049 1/20 0.51
MAPK1 P28482 1/20 0.51
GFER P55789 1/20 0.51
PAX8 Q06710 1/20 0.51
AGTR1 P30556 1/20 0.49
HSP90AA1 P07900 1/20 0.49

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
SCHEMBL240083 0.94 VCAM1 (0.72) VCAM1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL9412619 0.91 VCAM1 (0.60) VCAM1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL1983624 0.87 VCAM1 (0.62) VCAM1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL11001741 0.86 VCAM1 (0.66) VCAM1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL6929407 0.86 KMT2A (0.69) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL1981879 0.85 VCAM1 (0.60) VCAM1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL11219158 0.85 VCAM1 (0.64) VCAM1ALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL11703945 0.83 TSHR (0.49) ALDH1A1KMT2AKDM4ESMN1; SMN2MAPT
SCHEMBL6740307 0.83 VCAM1 (0.70) VCAM1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL4175676 0.83 VCAM1 (0.70) VCAM1ALDH1A1MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2066628-B1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS SANOFI AVENTIS (FR) 2010-10-20 EP disclosed
CN-101495449-A 2-phenyl-indoles as prostaglandin D2 receptor antagonists SANOFI AVENTIS (FR) 2009-07-29 CN disclosed
US-20090176804-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2009-07-09 US disclosed
EP-2066628-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS Sanofi-Aventis (FR) 2009-06-10 EP disclosed
WO-2008014186-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2008-01-31 WO disclosed
US-20070265278-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-11-15 US disclosed
EP-1844011-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS Aventis Pharmaceuticals Inc. (US) 2007-10-17 EP disclosed
US-20070208036-A1 Arylalkanes, arylalkenes and aryl-azaalkanes, pharmaceutical compositions containing these compounds and processes for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-09-06 US disclosed
US-7230001-B1 Arylalkane, arylalkene and aryl azaalkane, medicaments containing said compounds and method for the production thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-06-12 US disclosed
WO-2006081343-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2006-08-03 WO disclosed
US-4704391-A Pyridazinones, and pharmaceutical preparations thereof CIBA-GEIGY CORPORATION (US) 1987-11-03 US disclosed
US-4654340-A Pyridazinones, pharmaceutical preparations containing these compounds, and the use thereof CIBA-GEIGY CORPORATION (US) 1987-03-31 US disclosed
US-4624951-A Substituted pyridazinones, pharmaceutical preparations containing these compounds, and the use thereof CIBA-GEIGY CORPORATION (US) 1986-11-25 US disclosed
US-4613599-A Method of treating thrombotic disease with pyridazinones CIBA-GEIGY CORPORATION (US) 1986-09-23 US disclosed
EP-0172141-A1 Substituted pyridazinones, method for their preparation, pharmaceutical preparation containing these compounds and their use CIBA-GEIGY AG (CH) 1986-02-19 EP disclosed
EP-0059688-B1 PYRIDAZINONES, METHOD FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND THEIR USE CIBA-GEIGY AG (CH) 1985-05-15 EP disclosed
EP-0059688-A1 Pyridazinones, method for their preparation, pharmaceutical compositions containing these compounds and their use CIBA-GEIGY AG (CH) 1982-09-08 EP disclosed
EP-0001051-B1 DERIVATIVES OF BENZENESULFONAMIDE, METHOD FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1981-02-11 EP disclosed
US-4235918-A SALIDIURETICS, TREATMENT OF HYPERTONIC CONDITIONS HOECHST AKTIENGESELLSCHAFT (DE) 1980-11-25 US disclosed
EP-0001051-A2 Derivatives of benzenesulfonamide, method for their preparation and pharmaceutical compositions containing them HOECHST AKTIENGESELLSCHAFT (DE) 1979-03-21 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 (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-20070208036-A1 Arylalkanes, arylalkenes and aryl-azaalkanes, pharmaceutical compositions containing these compounds and processes for preparing them ARRB1, NPY1R, ADRB3 VCAM1 1486/4885ALDH1A1 425/4885MEN1 1691/4885
US-20070265278-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS PTGDR2, PTGDR, CYSLTR2 VCAM1 1778/4885ALDH1A1 1779/4885MEN1 4654/4885
US-20090176804-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS PTGER2, PTGDR2, CYSLTR2 VCAM1 454/4885ALDH1A1 1757/4885MEN1 4753/4885

“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.