SCHEMBL588269

SCHEMBL588269

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

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.36
MAPT P10636 2/20 0.35
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD11B1 P28845 3/20 0.32
P2RX7 Q99572 1/20 0.32
LMNA P02545 1/20 0.32
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
HCAR3 P49019 1/20 0.31
USP2 O75604 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
PTGER4 P35408 1/20 0.31
EPRS1 P07814 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
SCHEMBL587890 0.90 MAPK1 (0.36) MAPK1MAPTALDH1A1POLBHTT
SCHEMBL588675 0.88 MAPK1 (0.42) MAPK1MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL587621 0.88 HSD11B1 (0.35) MAPTALDH1A1POLBHTTSMN1; SMN2
SCHEMBL587840 0.81 MAPT (0.32) MAPK1MAPTKMT2A
SCHEMBL6482175 0.79 MEN1 (0.39) MAPK1MAPTALDH1A1POLBHTT
SCHEMBL587561 0.79 SMN1; SMN2 (0.38) MAPTALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL12056711 0.79 ALKBH1 (0.35) MAPK1MAPTALDH1A1HTTSMN1; SMN2
SCHEMBL587541 0.78 HSD11B1 (0.33) ALDH1A1SMN1; SMN2HSD11B1USP2HPGD
SCHEMBL10083864 0.78 GHSR (0.31)
SCHEMBL588676 0.76 MAPT (0.38) MAPK1MAPTALDH1A1SMN1; SMN2HSD11B1

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 2176/4885MAPT 3867/4885ALDH1A1 1178/4885

“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.