SCHEMBL587541

SCHEMBL587541

COc1nnnn1CCOc1c(Br)ccc(C(=O)Cl)c1C

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.33
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
CYP2C19 P33261 1/20 0.30
USP2 O75604 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL587621 0.90 HSD11B1 (0.35) HSD11B1ALDH1A1SMN1; SMN2USP2HSD17B10
SCHEMBL587890 0.88 MAPK1 (0.36) ALDH1A1SMN1; SMN2CYP1A2CYP2C9HPGD
SCHEMBL588676 0.88 MAPT (0.38) HSD11B1ALDH1A1SMN1; SMN2USP2
SCHEMBL588269 0.78 MAPK1 (0.36) HSD11B1ALDH1A1SMN1; SMN2HPGDUSP2
SCHEMBL587521 0.77 SMN1; SMN2 (0.38) ALDH1A1SMN1; SMN2HPGD
SCHEMBL588675 0.75 MAPK1 (0.42) ALDH1A1SMN1; SMN2USP2
SCHEMBL587840 0.69 MAPT (0.32)
SCHEMBL6495177 0.69 CYP1A2 (0.36) ALDH1A1SMN1; SMN2CYP1A2CYP2C9HPGD
SCHEMBL587445 0.68 MAPT (0.31)
SCHEMBL587561 0.67 SMN1; SMN2 (0.38) ALDH1A1SMN1; SMN2HPGD

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 HSD11B1 2265/4885ALDH1A1 1178/4885SMN1; SMN2 4657/4885

“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.