SCHEMBL5899646

SCHEMBL5899646

O=CNc1cc(-c2cc(Cl)cc(Cl)c2)nnc1Cl

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 5/20 0.33
KMO O15229 1/20 0.32
MAOB P27338 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
SCHEMBL5899743 0.82 CASP1 (0.49) CASP1MAOB
SCHEMBL5899723 0.81 CASP1 (0.50) CASP1
SCHEMBL5899687 0.80 CASP1 (0.51) CASP1MAOB
SCHEMBL5899710 0.79 CASP1 (0.54) CASP1KMO
SCHEMBL6727952 0.77 CASP1 (0.56) CASP1MAOB
SCHEMBL5899712 0.77 CYP2A6 (0.41) CASP1
SCHEMBL5899753 0.76 CASP1 (0.54) CASP1MAOB
SCHEMBL5899707 0.76 CASP1 (0.54) CASP1MAOB
SCHEMBL5899784 0.76 MAOB (0.45) MAOB
SCHEMBL5899711 0.76 CASP1 (0.57) CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0628550-B1 Pyridazines as interleukin-1beta converting enzyme inhibitors SANOFI SA (FR) 1998-02-25 EP claimed
US-6995261-B2 4-pyridazinecarboxamides and esters as interleukin-1β converting enzyme inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-02-07 US disclosed
US-20040110725-A1 Pyridazines as interleukin-1beta converting enzyme inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2004-06-10 US disclosed
US-6624166-B1 Pharmaceutical compositions containing the compounds; and a method for inhibiting interleukin-1 beta protease activity in a mammal utilizing the compounds and compositions for enzyme inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-09-23 US disclosed
US-6121266-A TREATMENT/PROPHYLAXIS OF INFLAMMATORY DISEASES, IMMUNE DISEASES, CANCER VERTEX PHARMACEUTICALS, INC. (US) 2000-09-19 US disclosed
EP-0628550-B1 Pyridazines as interleukin-1beta converting enzyme inhibitors SANOFI SA (FR) 1998-02-25 EP disclosed
EP-0628550-A2 Pyridazines as interleukin-1beta converting enzyme inhibitors STERLING WINTHROP INC. (US) 1994-12-14 EP 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-20040110725-A1 Pyridazines as interleukin-1beta converting enzyme inhibitors IL6ST, IL1RN, IL1R1 CASP1 117/4885KMO 440/4885MAOB 1518/4885

“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.