SCHEMBL1610223

SCHEMBL1610223

COC(=O)c1nc(C2CC2)nc(NCC(O)COc2ccc(Cl)cc2)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 1/20 0.41
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
ALDH1A1 P00352 2/20 0.39
THRB P10828 1/20 0.39
CYP1A2 P05177 1/20 0.38
MAPT P10636 4/20 0.38
GAA P10253 3/20 0.38
HTT P42858 2/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
TSHR P16473 2/20 0.37
HSD17B10 Q99714 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
SCHEMBL1609696 0.82 P2RX3 (0.38) ALDH1A1CYP1A2GAAHPGDMAPK1
SCHEMBL1609147 0.79 PDE10A (0.50) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL1610314 0.79 PDE10A (0.44) ALDH1A1MAPK1SMN1; SMN2TSHRHSD17B10
SCHEMBL1610436 0.78 PDE10A (0.42) ALDH1A1HPGDMAPK1SMN1; SMN2TSHR
SCHEMBL1610052 0.78 SLC6A3 (0.38) KMT2ACYP1A2SMN1; SMN2TSHR
SCHEMBL1609853 0.77 ALDH1A1 (0.36) ALDH1A1MAPTSMN1; SMN2ADRB2ADRB1
SCHEMBL1608801 0.77 MTNR1A (0.41) ALDH1A1MAPK1SMN1; SMN2TSHRHSD17B10
SCHEMBL1610298 0.76 SLC6A3 (0.39) ALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL1609438 0.76 PDE10A (0.42) KMT2AALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL1610899 0.76 PDE10A (0.48) ALDH1A1MAPT

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 NPY1R 3875/4885MEN1 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.