SCHEMBL14799084

SCHEMBL14799084

CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1OCC1CC1

nearest known ligand 0.89

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 20/20 0.89
MEN1 O00255 1/20 0.64
PTGES O14684 1/20 0.64
ALDH1A1 P00352 1/20 0.64
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2D6 P10635 1/20 0.64
MAPT P10636 1/20 0.64
ALOX15 P16050 1/20 0.64
TSHR P16473 1/20 0.64
PTGS1 P23219 1/20 0.64
CYP2C19 P33261 1/20 0.64
PTGS2 P35354 1/20 0.64
KMT2A Q03164 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64

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
SCHEMBL3247619 0.82 CYP19A1 (0.72) CYP19A1MEN1PTGESALDH1A1CYP1A2
SCHEMBL3301465 0.81 CYP19A1 (1.00) CYP19A1MEN1CYP1A2CYP3A4MAPT
SCHEMBL3299674 0.80 CYP19A1 (1.00) CYP19A1
SCHEMBL14799138 0.80 CYP19A1 (0.59) CYP19A1MEN1PTGESALDH1A1CYP1A2
SCHEMBL14799247 0.80 CYP19A1 (0.59) CYP19A1MEN1PTGESALDH1A1CYP1A2
SCHEMBL3296493 0.79 CYP19A1 (1.00) CYP19A1MEN1PTGESALDH1A1CYP1A2
SCHEMBL3295100 0.78 CYP19A1 (1.00) CYP19A1
SCHEMBL3295792 0.78 CYP19A1 (1.00) CYP19A1MEN1CYP1A2CYP3A4MAPT
SCHEMBL3294121 0.78 CYP19A1 (1.00) CYP19A1
Ns-398 SCHEMBL214213 0.78 CYP19A1 (1.00) CYP19A1MEN1PTGESALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9265768-B2 Derivatives of 1-phenyl-2-pyridinyl alkyl alcohols as phosphodiesterase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2016-02-23 US disclosed
EP-2760838-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2014-08-06 EP disclosed
US-20140142074-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2014-05-22 US disclosed
US-20140142074-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2014-05-22 US disclosed
US-20140142074-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2014-05-22 US disclosed
WO-2013045280-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2013-04-04 WO disclosed
US-20130079313-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2013-03-28 US disclosed
US-20130079313-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2013-03-28 US disclosed
US-20130079313-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2013-03-28 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 (2 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-20130079313-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS PDE4A, PDE4B, PDE3A CYP19A1 1232/4885MEN1 3052/4885PTGES 152/4885
US-20140142074-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS PDE4A, PDE4B, PDE3A CYP19A1 1232/4885MEN1 3052/4885PTGES 152/4885

“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.