SCHEMBL14876458

SCHEMBL14876458

COC(=O)CN1C(=O)C(=O)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 2/20 0.57
▸ CASP3 P42574 2/20 0.57
▸ CASP4 P49662 2/20 0.57
▸ CASP7 P55210 2/20 0.57
▸ CASP9 P55211 2/20 0.57
▸ CASP6 P55212 2/20 0.57
▸ CASP8 Q14790 1/20 0.57
▸ ALDH1A1 P00352 7/20 0.52
▸ TNF P01375 1/20 0.47
▸ CA12 O43570 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ HPGD P15428 2/20 0.47
▸ HTT P42858 2/20 0.47
▸ CUL4A Q13619 1/20 0.46
▸ KDM1A O60341 1/20 0.46
▸ POLB P06746 1/20 0.44
▸ AGTR1 P30556 1/20 0.44
▸ LMNA P02545 2/20 0.44

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
SCHEMBL14876485 0.83 ALOX5 (0.56) ALDH1A1TNFLMNAMEN1KMT2A
SCHEMBL4625604 0.80 CASP3 (0.67) CASP1CASP3CASP4CASP7CASP9
SCHEMBL21774731 0.80 CASP1 (0.67) CASP1CASP3CASP4CASP7CASP9
SCHEMBL28946309 0.79 CASP3 (0.66) CASP1CASP3CASP4CASP7CASP9
SCHEMBL14876188 0.79 PARK7 (0.57) ALDH1A1CA12CA1CA2CA9
SCHEMBL11959135 0.79 ALDH1A1 (0.56) ALDH1A1CUL4APOLBAGTR1MAPT
SCHEMBL3651922 0.78 CASP3 (0.67) CASP1CASP3CASP4CASP7CASP9
SCHEMBL18954535 0.77 CASP1 (0.52) CASP1CASP3CASP4CASP7CASP9
SCHEMBL28469328 0.77 CASP3 (0.65) CASP1CASP3CASP4CASP7CASP9
SCHEMBL1845586 0.77 ALDH1A1 (0.43) ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2768822-B1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARM SPA (IT) 2017-12-06 — — EP disclosed
EP-2768822-B1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARM SPA (IT) 2017-12-06 — — EP disclosed
US-9024027-B2 Derivatives of 1-phenyl-2-pyridinyl alkyl alcohols as phosphodiesterase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2015-05-05 — — US disclosed
US-9024027-B2 Derivatives of 1-phenyl-2-pyridinyl alkyl alcohols as phosphodiesterase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2015-05-05 — — US disclosed
US-9024027-B2 Derivatives of 1-phenyl-2-pyridinyl alkyl alcohols as phosphodiesterase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2015-05-05 — — US disclosed
EP-2768822-A2 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2014-08-27 — — EP disclosed
CN-103889972-A DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMA SPA 2014-06-25 — — CN disclosed
WO-2013057013-A2 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2013-04-25 — — WO disclosed
US-20130102576-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2013-04-25 — — US disclosed
US-20130102576-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2013-04-25 — — US disclosed
WO-2013057013-A2 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2013-04-25 — — WO disclosed
US-20130102576-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2013-04-25 — — US 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-20130102576-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS PDE4A, PDE3A, PDE4B CASP1 1648/4885CASP3 2377/4885CASP4 800/4885

“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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