SCHEMBL1609520

SCHEMBL1609520

COC(=O)c1nc(C2CC2)nc(NC2(/C=C/c3ccccc3Cl)CC2)c1Cl

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MEN1 O00255 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NOS2 P35228 4/20 0.35
NOS3 P29474 3/20 0.35
NOS1 P29475 3/20 0.35
SLC6A3 Q01959 1/20 0.35
NR1H4 Q96RI1 3/20 0.33
MAOB P27338 2/20 0.33
PDE10A Q9Y233 1/20 0.33

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
SCHEMBL1609521 1.00 KMT2A (0.37) KMT2ASMN1; SMN2MEN1KDM4EMAPT
SCHEMBL1610682 0.93 SLC6A3 (0.39) KMT2ASMN1; SMN2MEN1KDM4EMAPT
SCHEMBL1610679 0.93 SLC6A3 (0.39) KMT2ASMN1; SMN2MEN1KDM4EMAPT
SCHEMBL1610241 0.91 NPC1 (0.35) SMN1; SMN2MAPTRAB9ANPC1ALDH1A1
SCHEMBL12713086 0.91 NPC1 (0.35) SMN1; SMN2MAPTRAB9ANPC1ALDH1A1
SCHEMBL1610213 0.90 SLC6A3 (0.37) KMT2ASMN1; SMN2MEN1KDM4EMAPT
SCHEMBL1610209 0.90 SLC6A3 (0.37) KMT2ASMN1; SMN2MEN1KDM4EMAPT
SCHEMBL12713074 0.89 PDE10A (0.35) SMN1; SMN2KDM4EMAPTRAB9ANPC1
SCHEMBL1610312 0.89 PDE10A (0.35) SMN1; SMN2KDM4EMAPTRAB9ANPC1
SCHEMBL1610775 0.89 PDE10A (0.35) SMN1; SMN2KDM4EMAPTRAB9ANPC1

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 3 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

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 KMT2A 2003/4885SMN1; SMN2 2654/4885MEN1 3860/4885

“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.