SCHEMBL3220596

SCHEMBL3220596

COc1c[c]nc(OC)c1C#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
RECQL P46063 1/20 0.39
MAPK1 P28482 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPT P10636 3/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SQOR Q9Y6N5 4/20 0.35
LMNA P02545 1/20 0.34
CYP2C9 P11712 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
GLA P06280 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
MAPK8 P45983 1/20 0.31
MAPK9 P45984 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
SCHEMBL18889037 0.73 MAPT (0.41) ALDH1A1RECQLMAPK1L3MBTL1MAPT
SCHEMBL312808 0.72 ACHE (0.33) ALDH1A1L3MBTL1MAPTKDM4EHPGD
SCHEMBL9846269 0.68 ALDH1A1 (0.67) ALDH1A1MAPK1L3MBTL1MAPTKMT2A
SCHEMBL15173851 0.67 RECQL (0.54) ALDH1A1RECQLMAPK1L3MBTL1MAPT
SCHEMBL28201161 0.65 ALDH1A1 (0.39) ALDH1A1L3MBTL1MAPTKMT2AGAA
SCHEMBL17610729 0.65 LMNA (0.36) ALDH1A1RECQLMAPK1L3MBTL1MAPT
SCHEMBL4757275 0.64 KDM4E (0.42) ALDH1A1RECQLL3MBTL1KMT2AGAA
SCHEMBL7064467 0.64 MAPT (0.53) ALDH1A1MAPK1L3MBTL1MAPTKMT2A
SCHEMBL31124656 0.64 MAPT (0.53) ALDH1A1MAPK1L3MBTL1MAPTKMT2A
SCHEMBL21826811 0.63 KDM4E (0.43) ALDH1A1RECQLMAPK1L3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8415272-B2 Quinoline derivatives and their use as fungicides SYNGENTA CROP PROTECTION LLC (US) 2013-04-09 US disclosed
US-20100280068-A1 QUINOLINE DERIVATIVES AND THEIR USE AS FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-11-04 US disclosed
US-20100056570-A1 FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-03-04 US disclosed
US-20080171767-A1 N-substituted-2-alkylthio-2-(substituted aryloxy and heteroaryloxy)alkylamides and their sulphinyl and sulphonyl derivatives such as 2-(3,5-dichlorophenoxy)-2-methylthio-N-2-methylprop-2-yl acetamide; fungal infections of plants SYNGENTA CROP PROTECTION, INC. (US) 2008-07-17 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 (3 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-20080171767-A1 N-substituted-2-alkylthio-2-(substituted aryloxy and heteroaryloxy)alkylamides and their sulphinyl and sulphonyl derivatives such as 2-(3,5-dichlorophenoxy)-2-methylthio-N-2-methylprop-2-yl acetamide; fungal infections of plants NAT1, DPM1, AADAC ALDH1A1 895/4885RECQL 4491/4885MAPK1 1238/4885
US-20100056570-A1 FUNGICIDES CYP21A2, CYP51A1, CYP4X1 ALDH1A1 336/4885RECQL 4065/4885MAPK1 3247/4885
US-20100280068-A1 QUINOLINE DERIVATIVES AND THEIR USE AS FUNGICIDES CYP1A1, CYP3A7, CYP1A2 ALDH1A1 350/4885RECQL 318/4885MAPK1 1695/4885

“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.