SCHEMBL4926952

SCHEMBL4926952

Cc1[c]c([N+](=O)[O-])ncc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
RAB9A P51151 1/20 0.36
HSD17B10 Q99714 2/20 0.34
ACHE P22303 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
TDP1 Q9NUW8 4/20 0.33
GAA P10253 1/20 0.33
PAX8 Q06710 1/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 2/20 0.32
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TSHR P16473 2/20 0.31
CYP3A4 P08684 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL2890918 0.78 MEN1 (0.35) ALDH1A1SMN1; SMN2MEN1KMT2ATDP1
SCHEMBL4927318 0.76 KDM4E (0.34) ALDH1A1MEN1KMT2ATDP1GAA
SCHEMBL4925010 0.76 KMT2A (0.38) ALDH1A1RAB9AHSD17B10SMN1; SMN2MEN1
SCHEMBL4927010 0.68 SMN1; SMN2 (0.35) ALDH1A1RAB9AHSD17B10ACHESMN1; SMN2
SCHEMBL457459 0.67 TSHR (0.42) ALDH1A1HSD17B10ACHESMN1; SMN2MEN1
SCHEMBL5478812 0.65 TSHR (0.45) ALDH1A1HSD17B10ACHESMN1; SMN2MEN1
SCHEMBL450992 0.64
SCHEMBL28150861 0.63 TSHR (0.43) ALDH1A1HSD17B10SMN1; SMN2MEN1KMT2A
SCHEMBL3723008 0.63
SCHEMBL790458 0.63

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1356988-A Phenoxy fluoropyrimidines BAYER AG (DE) 2002-07-03 CN claimed
EP-1194417-A1 PHENOXY FLUOROPYRIMIDINES BAYER AG (DE) 2002-04-10 EP claimed
WO-2000078733-A1 PHENOXY FLUOROPYRIMIDINES BAYER AKTIENGESELLSCHAFT (DE) 2000-12-28 WO claimed
US-20080227796-A1 7-Amino-6-Hetaryl-1,2,4-Triazolo[1,5-A]Pyrimidine Compounds and the Use Thereof for Controlling Pathogenic Fungi BASF AKTIENGESELLSCHAFT (DE) 2008-09-18 US disclosed
US-20080132412-A1 7-Amino-6-Heteroaryl-1,2,4-Triazolo[1,5-A]Pyrimidines and Their Use for Controlling Harmful Fungi BASF AKTIENGESELLSCHAFT (DE) 2008-06-05 US disclosed
CN-101080409-A 7-amino-6-hetaryl-1,2,4-triazolo[1,5-a]pyrimidine compounds and the use thereof for controlling pathogenic fungi BASF AG (DE) 2007-11-28 CN disclosed
CN-101080410-A 7-amino-6-heteroaryl-1, 2, 4-triazolo [1, 5-a ] pyrimidines and their use for controlling pathogenic fungi BASF AG (DE) 2007-11-28 CN disclosed
WO-2007118844-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES, PROCESS FOR THEIR PREPARATION AND THEIR USE FOR CONTROLLING HARMFUL FUNGI AND COMPOSITIONS COMPRISING THEM BASF SE (DE) 2007-10-25 WO disclosed
EP-1828191-A2 7-AMINO-6-HETARYL-1,2,4-TRIAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AND THE USE THEREOF FOR CONTROLLING PATHOGENIC FUNGI BASF AKTIENGESELLSCHAFT (DE) 2007-09-05 EP disclosed
EP-1828190-A1 7-AMINO-6-HETEROARYL-1,2,4-TRIAZOLOÝ1,5-A¨PYRIMIDINES AND TO THE USE THEREOF FOR COMBATING PATHOGENIC FUNGI BASF AKTIENGESELLSCHAFT (DE) 2007-09-05 EP disclosed
WO-2006066818-A2 7-AMINO-6-HETARYL-1,2,4-TRIAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AND THE USE THEREOF FOR CONTROLLING PATHOGENIC FUNGI BASF AKTIENGESELLSCHAFT (DE) 2006-06-29 WO disclosed
WO-2006066799-A1 7-AMINO-6-HETEROARYL-1,2,4-TRIAZOLO[1,5-A]PYRIMIDINES AND TO THE USE THEREOF FOR COMBATING PATHOGENIC FUNGI BASF AKTIENGESELLSCHAFT (DE) 2006-06-29 WO disclosed
CN-1356988-A Phenoxy fluoropyrimidines BAYER AG (DE) 2002-07-03 CN disclosed
EP-1194417-A1 PHENOXY FLUOROPYRIMIDINES BAYER AG (DE) 2002-04-10 EP disclosed
WO-2000078733-A1 PHENOXY FLUOROPYRIMIDINES BAYER AKTIENGESELLSCHAFT (DE) 2000-12-28 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 (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-20080132412-A1 7-Amino-6-Heteroaryl-1,2,4-Triazolo[1,5-A]Pyrimidines and Their Use for Controlling Harmful Fungi HINT1, PRF1, ERG28 ALDH1A1 1649/4885RAB9A 1687/4885HSD17B10 3339/4885
US-20080227796-A1 7-Amino-6-Hetaryl-1,2,4-Triazolo[1,5-A]Pyrimidine Compounds and the Use Thereof for Controlling Pathogenic Fungi CYP8B1, CBR3, HDHD5 ALDH1A1 2419/4885RAB9A 3004/4885HSD17B10 929/4885

“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.