SCHEMBL3576141

SCHEMBL3576141

COc1nnc(Cl)c(-c2ncc(Cl)cc2Cl)c1-c1ccc(Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
APEX1 P27695 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 6/20 0.37
KMT2A Q03164 6/20 0.37
CNR2 P34972 4/20 0.35
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 3/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
CNR1 P21554 3/20 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
SCHEMBL3569381 0.87 CNR2 (0.42) CYP2C9LMNATSHRAPEX1SMN1; SMN2
SCHEMBL896318 0.82 CNR2 (0.37) MEN1KMT2ACNR2NPSR1PTGS1
SCHEMBL14114403 0.79 HEXA (0.39) CYP2C9LMNASMN1; SMN2MEN1KMT2A
SCHEMBL10019353 0.78 MEN1 (0.36) CYP2C9LMNATSHRAPEX1SMN1; SMN2
SCHEMBL896839 0.77 KMT2A (0.40) CYP2C9LMNAMEN1KMT2ACNR2
SCHEMBL3616326 0.75 MEN1 (0.36) CYP2C9LMNATSHRAPEX1SMN1; SMN2
SCHEMBL3611247 0.75 PTGS2 (0.40) CYP2C9LMNATSHRAPEX1SMN1; SMN2
SCHEMBL10000738 0.74 CNR2 (0.35) TSHRSMN1; SMN2MEN1KMT2ACNR2
SCHEMBL10000761 0.73 MAOB (0.40) CYP2C9LMNASMN1; SMN2KMT2ACNR2
SCHEMBL3572622 0.73 MEN1 (0.38) CYP2C9TSHRSMN1; SMN2MEN1KMT2A

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-20100022526-A1 PYRIDAZINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-01-28 US claimed
EP-2121628-A1 PYRIDAZINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES Syngenta Participations AG (CH) 2009-11-25 EP claimed
WO-2008089934-A1 PYRIDAZINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-07-31 WO claimed
US-20100022526-A1 PYRIDAZINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-01-28 US disclosed
EP-2121628-A1 PYRIDAZINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES Syngenta Participations AG (CH) 2009-11-25 EP disclosed
WO-2008089934-A1 PYRIDAZINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-07-31 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-20100022526-A1 PYRIDAZINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES CYP4Z1, CYP1A2, CYP1A1 CYP2C9 27/4885LMNA 3036/4885TSHR 627/4885

“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.