SCHEMBL1608908

SCHEMBL1608908

COC(=O)c1nc(C2CC2)nc(NCc2ccco2)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
HPGD P15428 3/20 0.43
USP2 O75604 1/20 0.42
PDE10A Q9Y233 6/20 0.42
APP P05067 1/20 0.41
KDM4E B2RXH2 4/20 0.41
MEN1 O00255 4/20 0.41
MAPT P10636 4/20 0.41
KMT2A Q03164 4/20 0.41
HSD17B10 Q99714 3/20 0.41
POLB P06746 3/20 0.41
TSHR P16473 2/20 0.41
PKM P14618 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
GAA P10253 1/20 0.41
HSP90AA1 P07900 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
REN P00797 2/20 0.40
RECQL P46063 1/20 0.40
HTT P42858 2/20 0.39

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
SCHEMBL1610198 0.91 ALDH1A1 (0.48) ALDH1A1HPGDPDE10AKDM4EMEN1
SCHEMBL1610141 0.90 ALDH1A1 (0.48) ALDH1A1HPGDUSP2PDE10AKDM4E
SCHEMBL1612383 0.89 ALDH1A1 (0.41) ALDH1A1HPGDUSP2PDE10AKDM4E
SCHEMBL1611275 0.88 ALDH1A1 (0.43) ALDH1A1HPGDUSP2PDE10AKDM4E
SCHEMBL1610317 0.88 SMN1; SMN2 (0.42) ALDH1A1USP2PDE10AKDM4EMEN1
SCHEMBL1610521 0.87 AURKA (0.43) ALDH1A1PDE10AAPPKDM4EMEN1
SCHEMBL12713463 0.86 PDE10A (0.44) ALDH1A1HPGDPDE10AKDM4EMEN1
SCHEMBL1610417 0.86 SMN1; SMN2 (0.48) ALDH1A1HPGDMEN1MAPTKMT2A
SCHEMBL1609730 0.85 ALDH1A1 (0.41) ALDH1A1HPGDAPPKDM4EMEN1
SCHEMBL118131 0.85 SMN1; SMN2 (0.49) ALDH1A1HPGDUSP2APPKDM4E

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 7 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
US-20110086759-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-04-14 US disclosed
CN-101938905-A Chemical compounds SYNGENTA LTD 2011-01-05 CN disclosed
EP-2237669-A2 CHEMICAL COMPOUNDS Syngenta Limited (GB) 2010-10-13 EP disclosed
WO-2009081112-A2 CHEMICAL COMPOUNDS SYNGENTA LIMITED (GB) 2009-07-02 WO disclosed
WO-2009081112-A2 CHEMICAL COMPOUNDS SYNGENTA LIMITED (GB) 2009-07-02 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 (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 ALDH1A1 1562/4885HPGD 1668/4885USP2 2152/4885

“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.