SCHEMBL4498133

SCHEMBL4498133

CCOC(=O)Cn1nnc(-c2ccc(Br)o2)n1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
MAPK1 P28482 1/20 0.57
NPSR1 Q6W5P4 2/20 0.55
MAPT P10636 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
PKM P14618 3/20 0.50
ATM Q13315 1/20 0.50
HSD17B10 Q99714 1/20 0.50
LMNA P02545 2/20 0.47
KMT2A Q03164 2/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
TP53 P04637 1/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.41

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
SCHEMBL4489110 0.77 MAPK1 (0.55) ALDH1A1MAPK1L3MBTL1PKMATM
SCHEMBL3227629 0.76 ALDH1A1 (0.54) ALDH1A1MAPK1NPSR1MAPTL3MBTL1
SCHEMBL6784884 0.73 ALDH1A1 (0.54) ALDH1A1MAPK1NPSR1MAPTL3MBTL1
SCHEMBL16452770 0.73 TDP1 (0.45) ALDH1A1MAPK1L3MBTL1PKMHSD17B10
SCHEMBL3804356 0.73 NPSR1 (0.56) ALDH1A1MAPK1NPSR1MAPTL3MBTL1
SCHEMBL18512289 0.72 ALDH1A1 (0.53) ALDH1A1MAPK1NPSR1MAPTL3MBTL1
SCHEMBL13332435 0.71 SCD (0.53) ALDH1A1MAPK1NPSR1MAPTL3MBTL1
SCHEMBL10111873 0.71 MAPT (0.61) ALDH1A1MAPK1NPSR1MAPTL3MBTL1
SCHEMBL10111844 0.71 MAPT (0.61) ALDH1A1MAPK1NPSR1MAPTL3MBTL1
SCHEMBL15706622 0.71 HSD17B10 (0.69) ALDH1A1MAPK1NPSR1MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572753-B2 Tetrazole fungicides CHEMTURA CORPORATION (US) 2009-08-11 US disclosed
US-20070060631-A1 2-cyanomethyl-5-(3-substituted phenyl or 5-substituted thien-2-yl)-2H-tetrazoles; agricultural fungicides such as for rice blast CROMPTON COLORS INCORPORATED 2007-03-15 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-20070060631-A1 2-cyanomethyl-5-(3-substituted phenyl or 5-substituted thien-2-yl)-2H-tetrazoles; agricultural fungicides such as for rice blast TH, HAO2, TDO2 ALDH1A1 2475/4885MAPK1 2373/4885NPSR1 2415/4885

“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.