SCHEMBL3839293

SCHEMBL3839293

COc1c(C=O)ccc([N+](=O)[O-])c1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAPT P10636 1/20 0.49
ALOX15 P16050 1/20 0.49
PRKDC P78527 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TDP1 Q9NUW8 2/20 0.44
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
ERN1 O75460 5/20 0.39
VCAM1 P19320 1/20 0.39
MERTK Q12866 1/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38

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
SCHEMBL9275679 0.87 ALDH1A1 (0.49) ALDH1A1KDM4ECYP3A4MAPTALOX15
SCHEMBL1534545 0.85 ALDH1A1 (0.53) ALDH1A1KDM4ECYP3A4MAPTALOX15
SCHEMBL12154699 0.81 ERN1 (0.54) ALDH1A1KDM4ECYP3A4MAPTALOX15
SCHEMBL936742 0.80 TDP1 (0.60) ALDH1A1KDM4EMAPTHSD17B10TDP1
SCHEMBL11454684 0.79 TDP1 (0.59) ALDH1A1KDM4ECYP3A4MAPTALOX15
SCHEMBL14092107 0.79 ALDH1A1 (0.50) ALDH1A1KDM4ECYP3A4MAPTALOX15
SCHEMBL3840814 0.78 TDP1 (0.48) ALDH1A1CYP3A4MAPTHSD17B10TDP1
SCHEMBL790725 0.77 ERN1 (0.54) ALDH1A1KDM4ECYP3A4MAPTALOX15
SCHEMBL5653572 0.77 ALDH1A1 (0.53) ALDH1A1KDM4ECYP3A4MAPTALOX15
SCHEMBL2885741 0.77 ERN1 (0.57) ALDH1A1KDM4ECYP3A4MAPTALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2060566-B1 Poly-substituted aryls DOW AGROSCIENCES LLC (US) 2016-06-08 EP disclosed
EP-1973881-B1 6-(POLY-SUBSTITUTED ARYL)-4-AMINOPICOLINATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2009-10-28 EP disclosed
EP-2060566-A1 Poly-substituted aryls Dow AgroSciences LLC (US) 2009-05-20 EP disclosed
US-7498468-B2 6-(poly-substituted aryl)-4-aminopicolinates and their use as herbicides DOW AGROSCIENCES LLC (US) 2009-03-03 US disclosed
EP-1973881-A2 6-(POLY-SUBSTITUTED ARYL)-4-AMINOPICOLINATES AND THEIR USE AS HERBICIDES Dow Agrosciences LLC (US) 2008-10-01 EP disclosed
US-20080051596-A1 6-(poly-substituted aryl)-4-aminopicolinates and their use as herbicides DOW AGROSCIENCES LLC (US) 2008-02-28 US disclosed
US-20080045734-A1 6-(poly-substituted aryl)-4-aminopicolinates and their use as herbicides DOW AGROSCIENCES LLC (US) 2008-02-21 US disclosed
US-7314849-B2 6-(poly-substituted aryl)-4-aminopicolinates and their use as herbicides DOW AGROSCIENCES LLC (US) 2008-01-01 US disclosed
US-20070179060-A1 6-(Poly-substituted aryl)-4-aminopicolinates and their use as herbicides CORTEVA AGRISCIENCE LLC 2007-08-02 US disclosed
WO-2007082098-A2 6-(POLY-SUBSTITUTED ARYL)-4-AMINOPICOLINATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2007-07-19 WO disclosed
EP-1186598-B1 Process of preparing 5-(2-substituted-4-nitrophenyl)-oxazole, oxazole compound, and process of preparing the same NIPPON SYNTHETIC CHEM IND (JP) 2005-03-16 EP disclosed
US-6423849-B1 VIRICIDES; ANTICANCER AGENTS THE NIPPON SYNTHETIC CHEMICAL INDUSTRY CO., LTD. (JP) 2002-07-23 US disclosed
US-20020035265-A1 Process of preparing 5-(2-substituted-4-nitrophenyl)-oxazole, novel oxazole compound, and process of preparing the same THE NIPPON SYNTHETIC CHEMICAL INDUSTRY CO., LTD. 2002-03-21 US disclosed
EP-1186598-A1 Process of preparing 5-(2-substituted-4-nitrophenyl)-oxazole, oxazole compound, and process of preparing the same The Nippon Synthetic Chemical Industry Co., Ltd. (JP) 2002-03-13 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 (4 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-20020035265-A1 Process of preparing 5-(2-substituted-4-nitrophenyl)-oxazole, novel oxazole compound, and process of preparing the same PNPO, OXA1L, ATIC ALDH1A1 2039/4885KDM4E 322/4885CYP3A4 28/4885
US-20080045734-A1 6-(poly-substituted aryl)-4-aminopicolinates and their use as herbicides AAAS, DDT, AADAC ALDH1A1 1065/4885KDM4E 672/4885CYP3A4 589/4885
US-20070179060-A1 6-(Poly-substituted aryl)-4-aminopicolinates and their use as herbicides AAAS, DDT, AADAC ALDH1A1 1065/4885KDM4E 672/4885CYP3A4 589/4885
US-20080051596-A1 6-(poly-substituted aryl)-4-aminopicolinates and their use as herbicides AAAS, DDT, AADAC ALDH1A1 1065/4885KDM4E 672/4885CYP3A4 589/4885

“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.