SCHEMBL4164596

SCHEMBL4164596

CCOC(=O)c1nnccc1N

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
HSD17B10 Q99714 2/20 0.47
CYP1A2 P05177 3/20 0.46
LMNA P02545 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAOA P21397 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 2/20 0.43
ILK Q13418 1/20 0.43
HPGD P15428 1/20 0.43
TP53 P04637 1/20 0.42
ALOX12 P18054 1/20 0.42
BRD4 O60885 1/20 0.42
TSHR P16473 2/20 0.42
HTT P42858 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.41
PDE4A P27815 1/20 0.40

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
SCHEMBL353413 0.83 CYP1A2 (0.44) ALDH1A1CYP1A2LMNACYP3A4MAOA
SCHEMBL5767934 0.81 TSHR (0.52) ALDH1A1HSD17B10CYP1A2MEN1KMT2A
SCHEMBL29922777 0.77 BRD4 (0.60) ALDH1A1HSD17B10CYP1A2LMNACYP3A4
SCHEMBL1187172 0.77 BRD4 (0.60) ALDH1A1HSD17B10CYP1A2LMNACYP3A4
SCHEMBL4169677 0.77 ALDH1A1 (0.51) ALDH1A1HSD17B10CYP1A2LMNACYP3A4
SCHEMBL26081243 0.75 TSHR (0.49) ALDH1A1HSD17B10CYP1A2MEN1KMT2A
SCHEMBL22140520 0.75 ALDH1A1 (0.49) ALDH1A1HSD17B10CYP1A2LMNACYP3A4
SCHEMBL6896843 0.75 ALDH1A1 (0.49) ALDH1A1HSD17B10CYP1A2LMNACYP3A4
SCHEMBL31282770 0.75 ALDH1A1 (0.49) ALDH1A1HSD17B10CYP1A2LMNACYP3A4
SCHEMBL25242507 0.74 TP53 (0.41) HSD17B10CYP1A2KDM4ETP53ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069333-A1 FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2009-03-12 US disclosed
US-7410967-B2 Pyridodiazines as plant fungicides SYNGENTA CROP PROTECTION, INC. (US) 2008-08-12 US disclosed
EP-1575948-B1 PYRIDODIAZINES AS PLANT FUNGICIDES SYNGENTA LTD (GB) 2007-02-14 EP disclosed
US-20060205717-A1 Pyridodiazines as plant fungicides SYNGENTA CROP PROTECTION, INC. 2006-09-14 US disclosed
EP-1575948-A1 PYRIDODIAZINES AS PLANT FUNGICIDES Syngenta Limited (GB) 2005-09-21 EP disclosed
WO-2004056825-A1 PYRIDODIAZINES AS PLANT FUNGICIDES SYNGENTA LIMITED (GB) 2004-07-08 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-20090069333-A1 FUNGICIDES CYP4Z1, CYP4X1, PRXL2A ALDH1A1 1469/4885HSD17B10 2955/4885CYP1A2 4/4885
US-20060205717-A1 Pyridodiazines as plant fungicides CYP4Z1, CYP4X1, PNPO ALDH1A1 917/4885HSD17B10 2029/4885CYP1A2 14/4885

“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.