SCHEMBL1608896

SCHEMBL1608896

COC(=O)c1nc(-c2ccc(Cl)c(F)c2)nc(NCc2ccco2)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.42
MAPT P10636 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
F2 P00734 1/20 0.41
ALDH1A1 P00352 4/20 0.40
GAA P10253 2/20 0.40
KDM4E B2RXH2 2/20 0.40
PTGS2 P35354 2/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
THRB P10828 1/20 0.40
PDE5A O76074 2/20 0.40

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
SCHEMBL1610660 0.93 SOS1 (0.44) APPMAPTMEN1KMT2ALMNA
SCHEMBL1610398 0.92 MAPT (0.43) APPMAPTMEN1KMT2ALMNA
SCHEMBL12713367 0.92 MAPT (0.43) APPMAPTMEN1KMT2ALMNA
SCHEMBL1610506 0.92 MAPT (0.44) APPMAPTMEN1KMT2ALMNA
SCHEMBL12713301 0.92 APP (0.43) APPMAPTMEN1KMT2ALMNA
SCHEMBL1609726 0.92 MEN1 (0.43) APPMAPTMEN1KMT2ALMNA
SCHEMBL1609539 0.91 HSD17B10 (0.47) MAPTMEN1KMT2ALMNANPC1
SCHEMBL1609680 0.89 MAPT (0.47) MAPTMEN1KMT2ALMNAHTT
SCHEMBL1610779 0.89 KDM4E (0.47) MAPTMEN1KMT2ALMNANPC1
SCHEMBL1610510 0.89 ALDH1A1 (0.46) APPMAPTMEN1KMT2ALMNA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120202690-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (US) 2012-08-09 US disclosed
US-20120202690-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (US) 2012-08-09 US disclosed
US-20120202690-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (US) 2012-08-09 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
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 (2 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 APP 3848/4885MAPT 2800/4885MEN1 3860/4885
US-20120202690-A1 HERBICIDAL COMPOUNDS DDT, HAO2, HAAO APP 4599/4885MAPT 4272/4885MEN1 4608/4885

“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.