SCHEMBL1610447

SCHEMBL1610447

COC(=O)c1nc(-c2ccc(Cl)cc2)nc(NC2CC2)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 2/20 0.43
PKM P14618 1/20 0.43
SLC6A3 Q01959 9/20 0.42
NPSR1 Q6W5P4 2/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
LMNA P02545 1/20 0.39
CHEK1 O14757 2/20 0.39
MAPKAPK2 P49137 2/20 0.39
ACP1 P24666 1/20 0.39
RORC P51449 1/20 0.38
SLC6A2 P23975 1/20 0.38
ADORA3 P0DMS8 1/20 0.38

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
SCHEMBL1610652 0.80 PDE4B (0.37) KDM4ESMN1; SMN2L3MBTL1ALDH1A1PKM
SCHEMBL1609288 0.79 NPSR1 (0.40) NPSR1ADORA3ADORA2AADORA1
SCHEMBL719800 0.77 KDM4E (0.56) KDM4ESMN1; SMN2L3MBTL1ALDH1A1PKM
SCHEMBL1610047 0.76 PDE10A (0.49)
SCHEMBL1609885 0.75 KMT2A (0.57) KDM4EALDH1A1NPSR1MAPTRAB9A
SCHEMBL8038516 0.75 NPSR1 (0.39) KDM4ESMN1; SMN2ALDH1A1SLC6A3NPSR1
SCHEMBL2684152 0.73 TAS1R3 (0.36) JAK2TSHR
SCHEMBL3837264 0.72 ALDH1A1 (0.50) KDM4ESMN1; SMN2L3MBTL1ALDH1A1PKM
SCHEMBL120609 0.72 RAB9A (0.54) KDM4ESMN1; SMN2ALDH1A1NPSR1NPC1
SCHEMBL8040520 0.71 NPSR1 (0.43) KDM4ENPSR1CHEK1MAPKAPK2ACP1

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 KDM4E 2613/4885SMN1; SMN2 2654/4885L3MBTL1 1885/4885

“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.