SCHEMBL1610852

SCHEMBL1610852

COC(=O)c1nc(C2CC2)nc(NCCc2cc(C(F)(F)F)cc(Cl)n2)c1Cl

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 5/20 0.37
MAP3K12 Q12852 1/20 0.33
CRHR1 P34998 1/20 0.33
BRD4 O60885 2/20 0.32
RORC P51449 1/20 0.32
TACR1 P25103 3/20 0.32
SLC6A4 P31645 3/20 0.32
KCNH2 Q12809 3/20 0.32
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GPR35 Q9HC97 2/20 0.31

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
SCHEMBL12713050 0.87 PDE10A (0.39) PDE10ACYP2D6
SCHEMBL1609481 0.82 PDE10A (0.41) PDE10ACYP2D6
SCHEMBL1608975 0.79 PDE10A (0.39) PDE10AALDH1A1
SCHEMBL1609710 0.78 PDE10A (0.47) PDE10A
SCHEMBL1608939 0.77 ALDH1A1 (0.44) PDE10ACYP1A2ALDH1A1SMN1; SMN2
SCHEMBL1609822 0.77 PDE10A (0.45) PDE10ACYP1A2POLBCYP2D6
SCHEMBL1609426 0.76 PDE10A (0.48) PDE10AHPGDALDH1A1SMN1; SMN2HSD17B10
SCHEMBL1608948 0.76 KMT2A (0.37) KCNH2POLBHPGDALDH1A1SMN1; SMN2
SCHEMBL1609666 0.76 L3MBTL1 (0.40) PDE10ACYP1A2CYP2D6ALDH1A1SMN1; SMN2
SCHEMBL1610344 0.75 PDE10A (0.44) PDE10APOLBALDH1A1SMN1; SMN2HSD17B10

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 PDE10A 1704/4885MAP3K12 2380/4885CRHR1 4245/4885

“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.