SCHEMBL11903080

SCHEMBL11903080

COC(=O)c1nc(C2CC2)nc(NC(c2ccccc2)C(N)c2ccccc2)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.36
TSHR P16473 2/20 0.34
MAPK1 P28482 2/20 0.34
SMN1; SMN2 Q16637 4/20 0.33
HSD17B10 Q99714 3/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
SLC6A9 P48067 1/20 0.33
SLC6A3 Q01959 2/20 0.32
KDM4E B2RXH2 2/20 0.32
HPGD P15428 1/20 0.32
CCNA2 P20248 3/20 0.32
CDK2 P24941 3/20 0.32
CCNA1 P78396 3/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
HCRTR2 O43614 2/20 0.32
HCRTR1 O43613 1/20 0.32

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
SCHEMBL12713120 0.89 PDE10A (0.37) PDE10ATSHRMAPK1SMN1; SMN2HSD17B10
SCHEMBL12713129 0.89 PDE10A (0.37) PDE10ATSHRMAPK1SMN1; SMN2HSD17B10
SCHEMBL1609362 0.86 PDE10A (0.40) PDE10ATSHRMAPK1SMN1; SMN2HSD17B10
SCHEMBL1609887 0.86 PDE10A (0.40) PDE10ATSHRMAPK1SMN1; SMN2HSD17B10
SCHEMBL1610170 0.85 PDE10A (0.50) PDE10ATSHRMAPK1ALDH1A1KDM4E
SCHEMBL11903139 0.85 KDM4E (0.36) TSHRMAPK1SMN1; SMN2HSD17B10ALDH1A1
SCHEMBL1609830 0.83 ELANE (0.40) PDE10ATSHRMAPK1HSD17B10ALDH1A1
SCHEMBL1609871 0.82 EGFR (0.39) PDE10ATSHRMAPK1SMN1; SMN2HSD17B10
SCHEMBL1610144 0.82 EGFR (0.39) PDE10ATSHRMAPK1SMN1; SMN2HSD17B10
SCHEMBL1611523 0.82 EGFR (0.39) PDE10ATSHRMAPK1SMN1; SMN2HSD17B10

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-20120202690-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (US) 2012-08-09 US disclosed
US-20120202690-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (US) 2012-08-09 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-20120202690-A1 HERBICIDAL COMPOUNDS DDT, HAO2, HAAO PDE10A 2603/4885TSHR 2970/4885MAPK1 2973/4885

“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.