SCHEMBL587890

SCHEMBL587890

Cc1c(C(=O)Cl)ccc(Br)c1OCCn1nnnc1C

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.36
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
POLB P06746 1/20 0.30
HTT P42858 1/20 0.30
MAPT P10636 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
SCHEMBL588269 0.90 MAPK1 (0.36) MAPK1HPGDMEN1KMT2AALDH1A1
SCHEMBL587541 0.88 HSD11B1 (0.33) CYP1A2CYP2C9HPGDCYP2C19ALDH1A1
SCHEMBL588675 0.87 MAPK1 (0.42) MAPK1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6495177 0.81 CYP1A2 (0.36) MAPK1CYP1A2CYP2C9HPGDCYP2C19
SCHEMBL587840 0.80 MAPT (0.32) MAPK1KMT2AMAPT
SCHEMBL587521 0.80 SMN1; SMN2 (0.38) HPGDMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL587621 0.78 HSD11B1 (0.35) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL6493539 0.76 MAPK1 (0.33) MAPK1CYP1A2CYP2C9HPGDCYP2C19
SCHEMBL588676 0.75 MAPT (0.38) MAPK1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6482175 0.74 MEN1 (0.39) MAPK1CYP1A2CYP2C9HPGDCYP2C19

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 MAPK1 2176/4885CYP1A2 56/4885CYP2C9 441/4885

“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.