SCHEMBL587774

SCHEMBL587774

CCOC(=O)c1ccc(Cl)c(OCCn2nnnc2CS)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
LMNA P02545 4/20 0.38
USP2 O75604 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GPR55 Q9Y2T6 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
BAZ2B Q9UIF8 1/20 0.34
BAZ2A Q9UIF9 1/20 0.34
IKBKB O14920 1/20 0.34
TBXAS1 P24557 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL6494876 0.88 MAPK1 (0.42) ALDH1A1LMNAUSP2MAPK1HTT
SCHEMBL3612812 0.86 MEN1 (0.38) ALDH1A1KMT2ACYP1A2CYP2C9HPGD
SCHEMBL588245 0.86 MEN1 (0.34) ALDH1A1KMT2ACYP1A2CYP2C9HPGD
SCHEMBL6492924 0.84 LMNA (0.39) ALDH1A1LMNAUSP2MAPK1HTT
SCHEMBL587378 0.78 GAA (0.45) ALDH1A1LMNAUSP2MAPK1HTT
SCHEMBL6482410 0.77 BAZ2B (0.39) ALDH1A1LMNAUSP2MAPK1HTT
SCHEMBL6482175 0.76 MEN1 (0.39) ALDH1A1MAPK1HTTKMT2ACYP1A2
SCHEMBL6495177 0.76 CYP1A2 (0.36) ALDH1A1MAPK1HTTKMT2ACYP1A2
SCHEMBL588006 0.75 GAA (0.44) ALDH1A1LMNAUSP2MAPK1HTT
SCHEMBL587539 0.75 BAZ2B (0.39) ALDH1A1LMNAUSP2MAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2081925-B1 Benzoylpyrazoles, their use as herbicides, and intermediates BAYER CROPSCIENCE AG (DE) 2012-02-15 EP disclosed
US-8084398-B2 Benzoylpyrazoles and herbicide BAYER CROPSCIENCE AG (DE) 2011-12-27 US disclosed
US-20100094023-A1 BENZOYLPYRAZOLES AND HERBICIDE BAYER CROPSCIENCE AG (DE) 2010-04-15 US disclosed
EP-2081925-A1 BENZOYLPYRAZOLES, THEIR USE AS AS HERBICIDES, AND INTERMEDIATES Bayer CropScience AG (DE) 2009-07-29 EP disclosed
WO-2008043456-A1 BENZOYLPYRAZOLES, THEIR USE AS AS HERBICIDES, AND INTERMEDIATES BAYER CROPSCIENCE AG (DE) 2008-04-17 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-20100094023-A1 BENZOYLPYRAZOLES AND HERBICIDE ATL3, AHR, HACL2 ALDH1A1 1178/4885LMNA 4205/4885USP2 1793/4885

“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.