SCHEMBL1610336

SCHEMBL1610336

COC(=O)c1nc(C2CC2)nc(NCCCN2CCCC2=O)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.46
ALDH1A1 P00352 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 3/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
HSD17B10 Q99714 2/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
RECQL P46063 1/20 0.39
ATM Q13315 1/20 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
SCHEMBL1609242 0.81 TSHR (0.42) ALDH1A1KDM4ERAB9ANPC1HSD17B10
SCHEMBL1610967 0.78 BRAF (0.38) ALDH1A1KDM4ERAB9ALMNAKMT2A
SCHEMBL1609746 0.77 SOD1 (0.44) ALDH1A1SMN1; SMN2KDM4ELMNAMEN1
SCHEMBL1609457 0.76 KDM4E (0.42) ALDH1A1SMN1; SMN2KDM4EHSD17B10LMNA
SCHEMBL1610344 0.74 PDE10A (0.44) ALDH1A1SMN1; SMN2RAB9AHSD17B10LMNA
SCHEMBL1608985 0.74 PDE10A (0.47) ALDH1A1SMN1; SMN2HSD17B10MEN1KMT2A
SCHEMBL1610108 0.73 PDE10A (0.46) ALDH1A1MEN1KMT2AHPGD
SCHEMBL1608711 0.73 PDE10A (0.41) ALDH1A1SMN1; SMN2HSD17B10CYP3A4
SCHEMBL1609076 0.73 PDE10A (0.41) ALDH1A1SMN1; SMN2HSD17B10CYP3A4
SCHEMBL13769317 0.73 LMNA (0.39) ALDH1A1KDM4EHSD17B10LMNAMEN1

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-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
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 PGK1 1105/4885ALDH1A1 1562/4885SMN1; SMN2 2654/4885

“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.