SCHEMBL4826668

SCHEMBL4826668

Cc1oc(C)c(C2CCCCC2)c1C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.53
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 5/20 0.36
LIPE Q05469 3/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
RET P07949 1/20 0.34
MAPT P10636 3/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 4/20 0.32
RXFP1 Q9HBX9 1/20 0.32
HPGD P15428 3/20 0.31
ADCY1 Q08828 1/20 0.31
LMNA P02545 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL13835895 0.77 KDM4E (0.41) ALDH1A1LIPERETMAPTKDM4E
SCHEMBL10862608 0.75 KDM4E (0.40) ALDH1A1LIPERETMAPTKDM4E
SCHEMBL6928422 0.74 ALDH1A1 (0.35) POLBALDH1A1LIPERETMAPT
SCHEMBL27653072 0.72 POLB (1.00) POLBALDH1A1GAAKDM4EMEN1
SCHEMBL13835897 0.71 KDM4E (0.37) ALDH1A1LIPERETMAPTKDM4E
SCHEMBL11621519 0.67 BMP1 (0.43) POLBCYP2C19ALDH1A1NPC1MEN1
SCHEMBL28175941 0.66 MEN1 (0.43) POLBALDH1A1NPC1MAPTKDM4E
SCHEMBL812386 0.64 KMT2A (0.49) POLBALDH1A1NPC1MAPTKDM4E
SCHEMBL29119946 0.64 HCAR2 (0.33) MAPTKDM4EMEN1KMT2A
SCHEMBL3826979 0.63 PTGS2 (0.47) ALDH1A1RETMAPTKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020210750-A1 MACROMOLECULAR AND NONPARTICULATE AGROCHEMICALS TO REDUCE VAPOR DRIFT UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2020-10-15 WO disclosed
US-7465735-B2 crop protection agents for controlling harmful fungi; improved activity; 6-chloro-2-(N'-isopropylidene-hydrazino)-5-(2,4,6-trifluorophenyl)pyrimidine-4-yl]-((S)-1-trifluoromethylethyl)amine; against Septoria Leaf Blotch of Wheat, Net Blotch of Barley and Mildew of Cucumber BASF AKTIENGESELLSCHAFT (DE) 2008-12-16 US disclosed
US-7449471-B2 5-phenylpyrimidines, their preparation, compositions comprising them and their use BASF AKTIENGESELLSCHAFT (DE) 2008-11-11 US disclosed
US-20070149551-A1 5-PHENYLPYRIMIDINES, THEIR PREPARATION, COMPOSITIONS COMPRISING THEM AND THEIR USE GYPSER ANDREAS 2007-06-28 US disclosed
US-20060148764-A1 5-phenypyrimidines their preparation compositions comprising them and their use BASF AKTIENGESELLSCHAFT (DE) 2006-07-06 US disclosed
US-6562833-B1 Treating the fungi or the plants, seeds, material or the soil to be protected against fungal infection with a fungicidally effective amount of at least one 2-(N-phenylamino)pyrimidine BASF AKTIENGESELLSCHAFT (DE) 2003-05-13 US disclosed
US-6268514-B1 TREATING INDUSTRIAL MATERIALS WITH NITROETHANE COMPOUND FOR PROTECTING AGAINST ATTACK AND DESTRUCTION BY MICROORGANISMS BASF AKTIENGESELLSCHAFT (DE) 2001-07-31 US disclosed
US-6114363-A ACTIVITY AGAINST A BROAD SPECTRUM OF PHYTOPATHOGENIC FUNGI; COMPOUNDS SUCH AS N-METHYL-E-2-METHOXYIMINO-2-((2-(3-CHLORO-5-(PROP-1-EN-3-OXIMINOETH-1' -YL)PYRIDIN-2-YL))OXYMETHYL) PHENYL)ACETAMIDE BASF AKTIENGESELLSCHAFT (DE) 2000-09-05 US disclosed
US-6069161-A TREATING THE INDUSTRIAL MATERIAL WITH AMINOISOTHIAZOLE MICROBIOCIDE BASF AKTIENGESELLSCHAFT (DE) 2000-05-30 US disclosed
CN-1037766-C Imino-substituted phenylacetic acid amides, their preparation and fungicides containing them BASF AG (DE) 1998-03-18 CN 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-20070149551-A1 5-PHENYLPYRIMIDINES, THEIR PREPARATION, COMPOSITIONS COMPRISING THEM AND THEIR USE CBR1, CBR3, NTPCR POLB 328/4885CYP2C19 794/4885ALDH1A1 356/4885
US-20060148764-A1 5-phenypyrimidines their preparation compositions comprising them and their use CBR1, CBR3, NT5C POLB 593/4885CYP2C19 873/4885ALDH1A1 752/4885

“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.