SCHEMBL924439

SCHEMBL924439

COC(=O)CC1CCc2ccncc2C1=O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 8/20 0.46
PPARD Q03181 1/20 0.40
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
AAK1 Q2M2I8 1/20 0.36
MIF P14174 1/20 0.36
CYP26A1 O43174 1/20 0.36
CYP24A1 Q07973 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL923006 0.90 CYP19A1 (0.46) CYP19A1PPARDCYP11B1CYP11B2AAK1
Bromide SCHEMBL8124970 0.89 CYP19A1 (0.45) CYP19A1PPARDCYP11B1CYP11B2AAK1
SCHEMBL8352315 0.84 CYP19A1 (0.50) CYP19A1PPARD
SCHEMBL31374633 0.81 ALDH1A1 (0.52) CYP19A1CYP24A1ALDH1A1SMN1; SMN2
SCHEMBL6644734 0.81 ALDH1A1 (0.52) CYP19A1CYP24A1ALDH1A1SMN1; SMN2
SCHEMBL2882437 0.77 CYP19A1 (0.40) CYP19A1PPARDALDH1A1
SCHEMBL7302984 0.77 CYP19A1 (0.60) CYP19A1CYP26A1CYP24A1
SCHEMBL8129792 0.76 CYP19A1 (0.42) CYP19A1PPARD
SCHEMBL9855381 0.75 CYP26A1 (0.60) CYP19A1CYP26A1CYP24A1ALDH1A1SMN1; SMN2
SCHEMBL924605 0.74 HTR1A (0.43) CYP19A1MIFALDH1A1

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-7868020-B2 Quinolynylmethylimidizoles as therapeutic agents ALLERGAN, INC. (US) 2011-01-11 US disclosed
US-7868020-B2 Quinolynylmethylimidizoles as therapeutic agents ALLERGAN, INC. (US) 2011-01-11 US disclosed
US-7868020-B2 Quinolynylmethylimidizoles as therapeutic agents ALLERGAN, INC. (US) 2011-01-11 US disclosed
US-20100113516-A1 QUINOLYNYLMETHYLIMIDIZOLES AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2010-05-06 US disclosed
US-20100113516-A1 QUINOLYNYLMETHYLIMIDIZOLES AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2010-05-06 US disclosed
US-20100113516-A1 QUINOLYNYLMETHYLIMIDIZOLES AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2010-05-06 US disclosed
WO-2008088936-A1 QUINOLYNYLMETHYLIMIDIZOLES AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2008-07-24 WO disclosed
EP-1015450-A1 NOVEL PYRIDAZINE COMPOUNDS AstraZeneca UK Limited (GB) 2000-07-05 EP disclosed
US-5935956-A Pyridazine compounds ASTRA PHARMACEUTICALS LTD. (GB) 1999-08-10 US disclosed
WO-1997045428-A1 NOVEL PYRIDAZINE COMPOUNDS ASTRA PHARMACEUTICALS LTD. (GB) 1997-12-04 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-20100113516-A1 QUINOLYNYLMETHYLIMIDIZOLES AS THERAPEUTIC AGENTS TUBB3, TUBB1, NQO2 CYP19A1 1852/4885PPARD 3430/4885CYP11B1 197/4885

“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.