SCHEMBL5844583

SCHEMBL5844583

Cc1ccc(=O)n(-c2cc(F)c(C#N)cc2F)n1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
TRPV4 Q9HBA0 2/20 0.36
CYP11B1 P15538 3/20 0.35
CYP11B2 P19099 3/20 0.35
BCAT2 O15382 2/20 0.33
BCAT1 P54687 2/20 0.33
AR P10275 1/20 0.33
KDM5A P29375 1/20 0.33
KDM1A O60341 1/20 0.33
EGLN2 Q96KS0 2/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
KHK P50053 1/20 0.32
USP14 P54578 1/20 0.32
CHRM2 P08172 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL5843626 0.80 BCAT2 (0.36) KDM4EBCAT2BCAT1
SCHEMBL6494499 0.80 KDM4E (0.59) KDM4ETRPV4CYP11B1CYP11B2USP14
SCHEMBL6506928 0.75 TRPV4 (0.36) KDM4ETRPV4BCAT2BCAT1AR
SCHEMBL5844322 0.75 CYP11B1 (0.39) KDM4ETRPV4CYP11B1CYP11B2BCAT2
SCHEMBL6729831 0.73 EGLN2 (0.39) KDM4ETRPV4BCAT2BCAT1EGLN2
SCHEMBL8787649 0.72 TRPV4 (0.33) KDM4ETRPV4KHKUSP14CHRM2
SCHEMBL8786897 0.72 TRPV4 (0.33) KDM4ETRPV4USP14ALDH1A1
SCHEMBL9138271 0.72 TRPV4 (0.33) KDM4ETRPV4CYP11B1CYP11B2BCAT2
SCHEMBL6730393 0.72 MEN1 (0.35) KDM4ETRPV4CYP11B1CYP11B2EGLN2
SCHEMBL6730381 0.72 GPR139 (0.36) KDM4ECYP11B1CYP11B2EGLN2ALDH1A1

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-7012041-B2 Phenylpyridazinones BAYER AG (DE) 2006-03-14 US disclosed
EP-0832072-B1 PHENYLPYRIDAZINONES BAYER CROPSCIENCE AG (DE) 2003-09-24 EP disclosed
US-20030119673-A1 Phenylpyridazinones LINKER KARL-HEINZ (DE) 2003-06-26 US disclosed
US-6551963-B1 For controlling unwanted vegetation BAYER AKTIENGESELLSCHAFT (DE) 2003-04-22 US disclosed
EP-0832072-A1 PHENYLPYRIDAZINONES BAYER AG (DE) 1998-04-01 EP disclosed
WO-1996039392-A1 PHENYLPYRIDAZINONES BAYER AKTIENGESELLSCHAFT (DE) 1996-12-12 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-20030119673-A1 Phenylpyridazinones CYP2D6, CYP1A1, CYP1B1 KDM4E 1610/4885TRPV4 3210/4885CYP11B1 97/4885

“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.