SCHEMBL1609254

SCHEMBL1609254

COC(=O)c1nc(C2CC2)nc(N(C)c2ccc(F)cc2F)c1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTSR1 P30989 3/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
MAPT P10636 2/20 0.33
TP53 P04637 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
ALPL P05186 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
SLC6A3 Q01959 2/20 0.32
SLC6A4 P31645 1/20 0.32
CNR1 P21554 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 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
SCHEMBL1610985 0.92 SLC6A3 (0.36) ALDH1A1SLC6A3
SCHEMBL1610295 0.92 PSEN1 (0.36) NTSR1ALDH1A1MAPTTP53GPBAR1
SCHEMBL1609825 0.89 PDE10A (0.31) ALDH1A1SLC6A3
SCHEMBL1610229 0.84 SLC6A3 (0.34) ALDH1A1TSHRMAPK1MAPTTP53
SCHEMBL1609112 0.83 SLC6A3 (0.42) ALDH1A1MAPTALPLSLC6A3CNR1
SCHEMBL1610302 0.81 NTSR1 (0.38) NTSR1TSHRMAPK1TP53SLC6A3
SCHEMBL1610512 0.81 SLC6A3 (0.33) ALDH1A1SLC6A3
SCHEMBL1608874 0.81 SLC6A3 (0.39) ALDH1A1TSHRMAPK1MAPTSLC6A3
SCHEMBL1609765 0.81 HTT (0.41) ALDH1A1TSHRDDB1CRBNHPGD
SCHEMBL1609761 0.80 RXRA (0.36) ALDH1A1TSHRMAPK1SLC6A3HPGD

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 1 patent. 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

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 NTSR1 1628/4885ALDH1A1 1562/4885TSHR 533/4885

“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.