SCHEMBL6209560

SCHEMBL6209560

O=[N+]([O-])c1[nH]nnc1-c1ccco1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.43
MAPT P10636 4/20 0.43
TDP1 Q9NUW8 4/20 0.43
BLM P54132 4/20 0.43
KDM4E B2RXH2 3/20 0.43
MEN1 O00255 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 3/20 0.43
ALOX15 P16050 3/20 0.43
PTPN7 P35236 3/20 0.43
RECQL P46063 3/20 0.43
KMT2A Q03164 3/20 0.43
HSD17B10 Q99714 3/20 0.43
PKM P14618 2/20 0.43
CASP1 P29466 2/20 0.43
CASP7 P55210 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
THRB P10828 1/20 0.43

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
SCHEMBL2890302 0.75
SCHEMBL1260158 0.73 MAPT (0.45) MAPTTDP1MEN1ALDH1A1HPGD
SCHEMBL11605248 0.70 MEN1 (0.44) POLBMAPTTDP1BLMKDM4E
SCHEMBL11606639 0.70 HSP90AA1 (0.52) POLBMAPTTDP1BLMKDM4E
SCHEMBL7749946 0.69 HSD17B10 (0.41) MAPTTDP1KDM4EMEN1ALDH1A1
SCHEMBL7749941 0.68 ACHE (0.41) POLBMAPTMEN1ALDH1A1HPGD
Methylamine SCHEMBL11609028 0.67 MEN1 (0.41) POLBMAPTTDP1BLMKDM4E
SCHEMBL6322672 0.67 MAPT (0.44) POLBMAPTTDP1BLMKDM4E
Hydrochloric Acid SCHEMBL6371847 0.65 CHEK1 (0.54) MAPTHPGDALOX15LMNACHEK1
SCHEMBL1496181 0.64 CSNK2A2 (0.49) POLBMAPTMEN1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1124827-B1 3-(SUBSTITUTED PHENYL)-5-(SUBSTITUTED HETEROCYCLYL)-1,2,4-TRIAZOLE COMPOUNDS DOW AGROSCIENCES LLC (US) 2005-11-30 EP disclosed
EP-1123281-B1 3-(SUBSTITUTED PHENYL)-5-(SUBSTITUTED CYCLOPROPYL)-1,2,4-TRIAZOLE COMPOUNDS DOW AGROSCIENCES LLC (US) 2003-10-22 EP disclosed
EP-1123287-B1 INSECTICIDAL 3- (SUBSTITUTED PYRIDYL) -1, 2, 4-TRIAZOLES DOW AGROSCIENCES LLC (US) 2003-07-30 EP disclosed
US-6417187-B2 PALLADIUM CATALYZED ARYLATION, ALKYLATION, DEIODINATION OR DEBROMINATION DOW AGROSCIENCES LLC 2002-07-09 US disclosed
US-6413997-B1 INSECTICIDES, MITICIDES DOW AGROSCIENCES LLC 2002-07-02 US disclosed
US-6413992-B1 3-(substituted pyridyl)-1,2,4-triazole compounds DOW AGROSCIENCES LLC 2002-07-02 US disclosed
US-20020019370-A1 Palladium catalyzed arylation, alkylation, deiodination or debromination DOW AGROSCIENCES LLC 2002-02-14 US disclosed
EP-0922043-B1 PESTICIDAL 3-(SUBSTITUTED PHENYL)-5-(THIENYL OR FURYL)-1,2,4-TRIAZOLES DOW AGROSCIENCES LLC (US) 2002-01-30 EP disclosed
EP-1124827-A1 3-(SUBSTITUTED PHENYL)-5-(SUBSTITUTED HETEROCYCLYL)-1,2,4-TRIAZOLE COMPOUNDS Dow AgroSciences LLC (US) 2001-08-22 EP disclosed
EP-1123281-A1 3-(SUBSTITUTED PHENYL)-5-(SUBSTITUTED CYCLOPROPYL)-1,2,4-TRIAZOLE COMPOUNDS Dow AgroSciences LLC (US) 2001-08-16 EP disclosed
EP-1123287-A1 INSECTICIDAL 3- (SUBSTITUTED PYRIDYL) -1, 2, 4-TRIAZOLES Dow AgroSciences LLC (US) 2001-08-16 EP disclosed
US-6262305-B1 Process and intermediates for preparing 3-(substituted phenyl)-5-(thienyl or furyl)-1,2,4-triazole compounds DOW AGROSCIENCES LLC 2001-07-17 US disclosed
US-6262099-B1 USEFUL AS INSECTICIDES AND ACARICIDES. DOW AGROSCIENCES LLC 2001-07-17 US disclosed
WO-2000024739-A1 3-(SUBSTITUTED PHENYL)-5-(SUBSTITUTED HETEROCYCLYL)-1,2,4-TRIAZOLE COMPOUNDS DOW AGROSCIENCES LLC (US) 2000-05-04 WO disclosed
WO-2000024720-A1 3-(SUBSTITUTED PHENYL)-5-(SUBSTITUTED CYCLOPROPYL)-1,2,4-TRIAZOLE COMPOUNDS DOW AGROSCIENCES LLC (US) 2000-05-04 WO disclosed
WO-2000024735-A1 INSECTICIDAL 1-(SUBSTITUTED PYRIDYL)-1,2,4-TRIAZOLES DOW AGROSCIENCES LLC (US) 2000-05-04 WO disclosed
US-6015826-A INSECTICIDES, APHIDICIDES, AND MITICIDES DOW AGROSCIENCES LLC 2000-01-18 US disclosed
EP-0922043-A1 PESTICIDAL 3-(SUBSTITUTED PHENYL)-5-(THIENYL OR FURYL)-1,2,4-TRIAZOLES Dow AgroSciences LLC (US) 1999-06-16 EP disclosed
WO-1998047894-A1 PESTICIDAL 3-(SUBSTITUTED PHENYL)-5-(THIENYL OR FURYL)-1,2,4-TRIAZOLES DOW AGROSCIENCES LLC (US) 1998-10-29 WO 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-20020019370-A1 Palladium catalyzed arylation, alkylation, deiodination or debromination DDT, TYR, DDC POLB 2971/4885MAPT 4029/4885TDP1 937/4885

“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.