SCHEMBL4520586

SCHEMBL4520586

O=[N+]([O-])c1cc(CCl)ccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 13/20 0.53
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 1/20 0.52
POLB P06746 1/20 0.52
TSHR P16473 2/20 0.50
KDM1A O60341 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
MAPK1 P28482 1/20 0.46

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
SCHEMBL550266 0.85 TSHR (0.60) VCAM1ALDH1A1TSHRTDP1MAPK1
SCHEMBL10891021 0.83 VCAM1 (0.51) VCAM1ALDH1A1KDM4EPOLBKDM1A
SCHEMBL27311122 0.83 VCAM1 (0.51) VCAM1ALDH1A1KDM4EPOLBTSHR
SCHEMBL213965 0.83 VCAM1 (0.56) VCAM1ALDH1A1KDM4EPOLBKDM1A
SCHEMBL29707970 0.83 VCAM1 (0.56) VCAM1ALDH1A1KDM4EPOLBKDM1A
SCHEMBL627966 0.83 VCAM1 (0.51) VCAM1ALDH1A1KDM4EPOLBKDM1A
SCHEMBL811582 0.83 VCAM1 (0.54) VCAM1ALDH1A1KDM4EPOLB
SCHEMBL18653119 0.83 VCAM1 (0.51) VCAM1ALDH1A1KDM4EPOLBKDM1A
SCHEMBL671271 0.83 VCAM1 (0.54) VCAM1ALDH1A1KDM4EPOLBKDM1A
SCHEMBL1983738 0.81 VCAM1 (0.59) VCAM1ALDH1A1KDM4EPOLBKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0128563-B1 IMPROVED ANTIFOGGANT PROCESS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-04-04 EP claimed
EP-0128563-A2 Improved antifoggant process E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-12-19 EP claimed
US-4468454-A NEGATIVE SILVER HALIDE EMULSIONS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1984-08-28 US claimed
EP-0045570-B1 USE OF ORGANIC HALOGEN COMPOUNDS TO REDUCE OR PREVENT FOG IN NEGATIVE-WORKING SILVER HALIDE EMULSIONS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1983-09-28 EP claimed
US-4323645-A Organic halogen compounds for negative-working silver halide emulsions E. I. DU PONT DE NEMOURS AND COMPANY (US) 1982-04-06 US claimed
EP-0045570-A1 Use of organic halogen compounds to reduce or prevent fog in negative-working silver halide emulsions E.I. DU PONT DE NEMOURS AND COMPANY (US) 1982-02-10 EP claimed
US-8501931-B2 Convertible nucleoside derivatives RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2013-08-06 US disclosed
US-20090030039-A1 Piperidine Derivatives as Cxcr3 Receptor Antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2009-01-29 US disclosed
EP-1984349-A1 PIPERIDINE DERIVATIVES AS CXCR3 RECEPTOR ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2008-10-29 EP disclosed
WO-2007090826-A1 PIPERIDINE DERIVATIVES AS CXCR3 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-08-16 WO disclosed
US-7189864-B2 Method of preparing intermediates useful in synthesis of retroviral protease inhibitors G.D. SEARLE & CO. (US) 2007-03-13 US disclosed
US-20060247244-A1 Quinoxalinones and their use especially in the treatment of cardiovascular diseases BAYER HEALTHCARE AG (DE) 2006-11-02 US disclosed
US-6974876-B2 Method for preparing intermediates useful in synthesis of retroviral protease inhibitors G.D. SEARLE & CO. (US) 2005-12-13 US disclosed
EP-0045570-A1 Use of organic halogen compounds to reduce or prevent fog in negative-working silver halide emulsions E.I. DU PONT DE NEMOURS AND COMPANY (US) 1982-02-10 EP disclosed
US-4243806-A ANTIALLERGENS; ANTIHISTAMINES JANSSEN PHARMACEUTICA N.V. (BE) 1981-01-06 US disclosed
US-4215219-A CHELATING AGENTS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 1980-07-29 US disclosed
US-4208430-A CARBAMIMIDOTHIOIC ACID PHENYLALKYL ESTERS SMITHKLINE CORPORATION (US) 1980-06-17 US disclosed
US-4179505-A ANTIALLERGENS; ANTIHISTAMINES JANSSEN PHARMACEUTICA N.V. (BE) 1979-12-18 US disclosed
US-4085261-A CHELATING AGENT WITH A STYRENE POLYMER BACKBONE YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 1978-04-18 US disclosed
US-4018790-A VIRICIDES ELI LILLY AND COMPANY (US) 1977-04-19 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 (2 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-20090030039-A1 Piperidine Derivatives as Cxcr3 Receptor Antagonists CXCR3, CXCR1, CXCR2 VCAM1 479/4885ALDH1A1 1281/4885KDM4E 2786/4885
US-20060247244-A1 Quinoxalinones and their use especially in the treatment of cardiovascular diseases NQO2, NQO1, XDH VCAM1 1060/4885ALDH1A1 647/4885KDM4E 1508/4885

“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.