SCHEMBL1609949

SCHEMBL1609949

COC(=O)c1nc(C2CC2)nc(NCCNc2cccc3ccccc23)c1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.45
CA4 P22748 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
CA14 Q9ULX7 2/20 0.45
ALDH1A1 P00352 4/20 0.38
HSD17B10 Q99714 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PDE10A Q9Y233 2/20 0.38
TSHR P16473 3/20 0.38
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 3/20 0.37
MAPT P10636 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GSK3B P49841 2/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
CA3 P07451 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36

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
SCHEMBL1610344 0.84 PDE10A (0.44) ALDH1A1HSD17B10SMN1; SMN2PDE10ATSHR
SCHEMBL1609426 0.81 PDE10A (0.48) ALDH1A1HSD17B10SMN1; SMN2PDE10ATSHR
SCHEMBL1608939 0.80 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2PDE10AKDM4EMAPT
SCHEMBL1608985 0.80 PDE10A (0.47) ALDH1A1HSD17B10SMN1; SMN2PDE10ATSHR
SCHEMBL1609687 0.79 PDE10A (0.45) ALDH1A1HSD17B10SMN1; SMN2PDE10A
SCHEMBL1609704 0.79 PDE10A (0.62) ALDH1A1PDE10AKDM4EGAAHPGD
SCHEMBL1610108 0.79 PDE10A (0.46) ALDH1A1PDE10AHPGDMEN1KMT2A
SCHEMBL1609091 0.78 CDK2 (0.47) ALDH1A1SMN1; SMN2TSHRMAPK1CYP1A2
SCHEMBL1610314 0.78 PDE10A (0.44) ALDH1A1HSD17B10SMN1; SMN2PDE10ATSHR
SCHEMBL1610136 0.78 AURKA (0.42) PDE10AMEN1KMT2A

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-20110086759-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-04-14 US disclosed
US-20110086759-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-04-14 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-20110086759-A1 CHEMICAL COMPOUNDS DDT, PNPO, CBR3 CA12 4512/4885CA4 2389/4885CA7 2384/4885

“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.