SCHEMBL6010796

SCHEMBL6010796

O=[N+]([O-])c1cc(Cl)cc([N+](=O)[O-])c1O

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 9/20 0.63
TTR P02766 2/20 0.58
MAPT P10636 3/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
LMNA P02545 2/20 0.56
HTT P42858 1/20 0.56
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
ALDH1A1 P00352 2/20 0.52
MAPK1 P28482 2/20 0.52
KDM4E B2RXH2 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
HPGD P15428 1/20 0.52

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
SCHEMBL4172077 0.89 TTR (0.67) GPR35TTRMAPTMEN1KMT2A
Niclofolan SCHEMBL1498232 0.89 GPR35 (0.57) GPR35TTRMAPTMEN1KMT2A
Niclofolan SCHEMBL29385615 0.89 GPR35 (0.57) GPR35TTRMAPTMEN1KMT2A
SCHEMBL310420 0.89 GPR35 (0.69) GPR35TTRMAPTMEN1KMT2A
SCHEMBL18304977 0.86 TTR (0.54) GPR35TTRMAPTMEN1KMT2A
SCHEMBL4969056 0.86 GPR35 (0.65) GPR35TTRMAPTMEN1KMT2A
SCHEMBL11622992 0.86 GPR35 (0.65) GPR35TTRMAPTMEN1KMT2A
SCHEMBL28045327 0.86 GPR35 (0.53) GPR35TTRMAPTMEN1KMT2A
SCHEMBL1248770 0.86 GPR35 (0.65) GPR35TTRMAPTMEN1KMT2A
SCHEMBL3355632 0.86 GPR35 (0.53) GPR35TTRMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4474646-A DINITROPHENOIS THE SHERWIN-WILLIAMS COMPANY (US) 1984-10-02 US claimed
US-8778876-B2 Small-molecule inhibitors of Dengue and West Nile virus proteases THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-07-15 US disclosed
US-8778876-B2 Small-molecule inhibitors of Dengue and West Nile virus proteases THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-07-15 US disclosed
US-20130035284-A1 SMALL-MOLECULE INHIBITORS OF DENGUE AND WEST NILE VIRUS PROTEASES THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-02-07 US disclosed
US-20130035284-A1 SMALL-MOLECULE INHIBITORS OF DENGUE AND WEST NILE VIRUS PROTEASES THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-02-07 US disclosed
US-7045516-B1 Benzoxazole derivatives and drugs containing the same as the active ingredient KOICHI SHUDO (JP) 2006-05-16 US disclosed
EP-1134220-B1 BENZOXAZOLE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT SHUDO KOICHI (JP) 2004-08-18 EP disclosed
EP-1134220-A1 BENZOXAZOLE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD. (JP) 2001-09-19 EP disclosed
EP-0352489-B1 USE OF 2,6-DINITROPHENOL DERIVATIVES IN HAIR DYEING COMPOSITIONS Wella Aktiengesellschaft (DE) 1992-06-17 EP disclosed
US-4975093-A Hair dyeing compositions containing 2,6-dinitro-phenol-derivatives WELLA AKTIENGESELLSCHAFT (DE) 1990-12-04 US disclosed
EP-0283315-A1 Method for recovery of polymerization inhibitor NIPPON STEEL CHEMICAL CO., LTD. (JP) 1988-09-21 EP disclosed
EP-0124084-B1 PROCESS FOR THE PREPARATION OF 6-CHLORO-2,4-DINITROPHENOL HOECHST AKTIENGESELLSCHAFT (DE) 1988-09-07 EP disclosed
EP-0226064-A2 Improved dehydrogenation process for production of styrene from ethylbenzene comprising low temperature heat recovery and modification of the ethyl-benzene-steam feed therewith Lummus Crest, Inc. (US) 1987-06-24 EP disclosed
US-4628136-A Dehydrogenation process for production of styrene from ethylbenzene comprising low temperature heat recovery and modification of the ethylbenzene-steam feed therewith LUMMUS CREST, INC. (US) 1986-12-09 US disclosed
US-4540832-A Process for the preparation of 6-chloro-2,4-dinitrophenol HOECHST AKTIENGESELLSCHAFT (DE) 1985-09-10 US disclosed
EP-0124084-A2 Process for the preparation of 6-chloro-2,4-dinitrophenol HOECHST AKTIENGESELLSCHAFT (DE) 1984-11-07 EP disclosed
US-4474646-A DINITROPHENOIS THE SHERWIN-WILLIAMS COMPANY (US) 1984-10-02 US disclosed
US-4115652-A Process for the preparation of amino-nitrophenols BAYER AKTIENGESELLSCHAFT (DE) 1978-09-19 US disclosed
US-4089747-A OXIDATION OF DYE-PROVIDING MATERIALS, A SULFONYL HYDRAZONE AND A COUPLER OR A TRIARYLIMIDAZOLE EASTMAN KODAK COMPANY (US) 1978-05-16 US disclosed
US-3984405-A PYRIDO(3,2-B)(1,4)OXAZIN-3(4H)-ONES E. R. SQUIBB & SONS, INC. (US) 1976-10-05 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 (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-20130035284-A1 SMALL-MOLECULE INHIBITORS OF DENGUE AND WEST NILE VIRUS PROTEASES SPINT2, ADAM17, ADAM33 GPR35 4668/4885TTR 563/4885MAPT 383/4885

“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.