SCHEMBL4783685

SCHEMBL4783685

CCCCCn1ncc(-n2ccnc2)c(Cl)c1=O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 1/20 0.40
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ PKM P14618 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP19A1 P11511 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37

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
SCHEMBL4782675 0.86 TBXAS1 (0.39) TBXAS1CYP3A4CYP2D6PKMCYP1A2
SCHEMBL2361037 0.71 HTT (0.54) CYP3A4CYP2D6PKMCYP1A2CYP2C9
SCHEMBL14282208 0.69 RAB9A (0.53) CYP3A4CYP1A2CYP2C19
SCHEMBL10824672 0.69 KMT2A (0.41) CYP3A4PKMCYP1A2CYP2C19
SCHEMBL2323909 0.69 GAA (0.41) PKM
SCHEMBL14282209 0.68 NOTUM (0.54) CYP3A4CYP1A2
SCHEMBL14221370 0.68 ALDH1A1 (0.56) CYP3A4CYP2D6CYP1A2CYP2C9CYP2C19
SCHEMBL14282212 0.68 GAA (0.48) CYP3A4CYP2D6CYP1A2CYP2C9CYP2C19
SCHEMBL14282211 0.67 NPBWR1 (0.46) CYP3A4CYP1A2
SCHEMBL14282213 0.67 CYP17A1 (0.56) CYP3A4PKMCYP2C19

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-1497269-B1 SUBSTITUTED 2-PHENYL-3(2H)-PYRIDAZINONES BAYER HEALTHCARE AG (DE) 2008-04-23 — — EP disclosed
US-7320977-B2 Fibrotic disorders; disorders characterized by harmful buildup of collagen and/or by excessive lysyl oxidase enzymatic activity BAYER HEALTHCARE AG (DE) 2008-01-22 — — US disclosed
US-20060004015-A1 Substituted 2-phenyl-3(2h)-pyridazinones BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-01-05 — — US disclosed
EP-1497269-A1 SUBSTITUTED 2-PHENYL-3(2H)-PYRIDAZINONES Bayer HealthCare AG (DE) 2005-01-19 — — EP disclosed
WO-2003097612-A1 SUBSTITUTED 2-PHENYL-3(2H)-PYRIDAZINONES BAYER HEALTHCARE AG (DE) 2003-11-27 — — 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-20060004015-A1 Substituted 2-phenyl-3(2h)-pyridazinones PIR, TPMT, PNPO TBXAS1 972/4885CYP3A4 246/4885CYP2D6 43/4885

“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.

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