SCHEMBL5843151

SCHEMBL5843151

C#CCOc1cc(-n2ncc(N(C)C)c(Cl)c2=O)c(F)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 2/20 0.38
PGK1 P00558 1/20 0.35
ALDH1A1 P00352 2/20 0.34
ESR1 P03372 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
PPOX P50336 2/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
MAPK14 Q16539 2/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 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
SCHEMBL6951333 0.87 GAA (0.42) RAB9ANPC1LMNASMN1; SMN2GAA
SCHEMBL6954778 0.84 GAA (0.40) LMNAGAAPGK1PPOXMAPK14
SCHEMBL6947748 0.83 GAA (0.40) RAB9AGAAPGK1ALDH1A1PPOX
SCHEMBL6954870 0.82 GAA (0.38) GAAPGK1PPOXMAPK14
SCHEMBL10413459 0.79 PGK1 (0.37) GAAPGK1PPOX
SCHEMBL4248457 0.78 PGK1 (0.35) GAAPGK1PPOXMAPK14
SCHEMBL9799793 0.77 PGK1 (0.39) LMNAGAAPGK1PPOXKMT2A
SCHEMBL6955641 0.77 GAA (0.34) GAAPGK1PPOXMAPK14
SCHEMBL6477318 0.77 PGK1 (0.36) GAAPGK1PPOXMAPK14
SCHEMBL9661744 0.73 PGK1 (0.39) LMNASMN1; SMN2PGK1ALDH1A1PPOX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7012041-B2 Phenylpyridazinones BAYER AG (DE) 2006-03-14 US claimed
EP-0832072-B1 PHENYLPYRIDAZINONES BAYER CROPSCIENCE AG (DE) 2003-09-24 EP claimed
US-20030119673-A1 Phenylpyridazinones LINKER KARL-HEINZ (DE) 2003-06-26 US claimed
US-6551963-B1 For controlling unwanted vegetation BAYER AKTIENGESELLSCHAFT (DE) 2003-04-22 US claimed
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 RAB9A 2247/4885NPC1 4089/4885LMNA 4189/4885

“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.