SCHEMBL1609999

SCHEMBL1609999

C=CCN(Cc1ccccc1F)c1nc(C2CC2)nc(C(=O)OC)c1Cl

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.34
MAPT P10636 3/20 0.33
TP53 P04637 2/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
HTT P42858 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33
PGR P06401 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HSP90AA1 P07900 1/20 0.31
HSP90B1 P14625 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
ACLY P53396 1/20 0.31
HCAR3 P49019 1/20 0.31
CXCR3 P49682 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
SCHEMBL1609676 0.89 TP53 (0.37) MAPTTP53LMNAALDH1A1SMN1; SMN2
SCHEMBL1611310 0.87 TP53 (0.36) MAPTTP53LMNAALDH1A1SMN1; SMN2
SCHEMBL1609969 0.87 CHRM3 (0.38) ALOX5MAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL1610486 0.85 SMN1; SMN2 (0.34) ALOX5ALDH1A1SMN1; SMN2SLC6A2SLC6A3
SCHEMBL1609974 0.85 MEN1 (0.43) MAPTLMNAALDH1A1SMN1; SMN2HTT
SCHEMBL12713205 0.85 ALDH1A1 (0.34) ALOX5MAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL13769417 0.85 LTC4S (0.34) ALDH1A1SLC6A2SLC6A3CYP2D6PDE4A
SCHEMBL12713240 0.85 CHRM3 (0.39) MAPTTP53LMNAALDH1A1SMN1; SMN2
SCHEMBL1610550 0.83 ALDH1A1 (0.41) MAPTALDH1A1TSHR
SCHEMBL1609106 0.82 TRPM8 (0.37) MAPTLMNAALDH1A1SMN1; SMN2HTT

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 4 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
WO-2009081112-A2 CHEMICAL COMPOUNDS SYNGENTA LIMITED (GB) 2009-07-02 WO 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 ALOX5 1378/4885MAPT 2800/4885TP53 731/4885

“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.