SCHEMBL1609666

SCHEMBL1609666

COC(=O)c1nc(C2CC2)nc(NCc2ncc(C(F)(F)F)cc2Cl)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
GAA P10253 1/20 0.38
PDE10A Q9Y233 1/20 0.38
KCNQ3 O43525 1/20 0.37
KCNQ2 O43526 1/20 0.37
KCNQ4 P56696 1/20 0.37
KCNQ5 Q9NR82 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL12712900 0.87 PDE10A (0.42) CYP3A4CYP2D6PDE10A
SCHEMBL1609481 0.84 PDE10A (0.41) CYP3A4CYP2D6PDE10A
SCHEMBL1609710 0.82 PDE10A (0.47) PDE10A
SCHEMBL1608975 0.80 PDE10A (0.39) ALDH1A1CYP3A4PDE10A
SCHEMBL1609822 0.80 PDE10A (0.45) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL1609910 0.80 PDE10A (0.42) SMN1; SMN2ALDH1A1CYP3A4CYP2D6PDE10A
SCHEMBL12737919 0.79 PDE10A (0.50) CYP3A4PDE10AKCNQ3KCNQ2KCNQ4
SCHEMBL1610158 0.76 PDE10A (0.43) CYP3A4CYP2D6PDE10A
SCHEMBL1609781 0.76 ABL1 (0.45) SMN1; SMN2ALDH1A1PDE10A
SCHEMBL1610852 0.76 PDE10A (0.37) SMN1; SMN2ALDH1A1CYP1A2CYP2D6PDE10A

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 L3MBTL1 1885/4885MEN1 3860/4885KMT2A 2003/4885

“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.