SCHEMBL2875151

SCHEMBL2875151

O=C(O)Cn1ccc2cccc([N+](=O)[O-])c21

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
APEX1 P27695 1/20 0.43
ALDH1A1 P00352 5/20 0.42
AKR1B1 P15121 2/20 0.41
AKR1B10 O60218 1/20 0.41
CCR2 P41597 1/20 0.41
GPR35 Q9HC97 1/20 0.40
TSHR P16473 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
CYP1A2 P05177 2/20 0.38
MEN1 O00255 3/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PLCG2 P16885 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
SCHEMBL2875153 1.00 KMT2A (0.50) KMT2AAPEX1ALDH1A1AKR1B1AKR1B10
SCHEMBL13139569 0.87 ALDH1A1 (0.44) KMT2AAPEX1ALDH1A1CCR2GPR35
SCHEMBL14876425 0.83 ALDH1A1 (0.47) KMT2AALDH1A1TSHRL3MBTL1MEN1
SCHEMBL3051931 0.80 KMT2A (0.40) KMT2AALDH1A1CCR2MEN1MAPT
SCHEMBL24130455 0.80 ALDH1A1 (0.43) KMT2AAPEX1ALDH1A1GPR35TSHR
SCHEMBL3598769 0.79 NPC1 (0.49) KMT2AALDH1A1CCR2TSHRL3MBTL1
SCHEMBL3609663 0.77 ALDH1A1 (0.43) KMT2AAPEX1ALDH1A1CCR2GPR35
SCHEMBL3165711 0.77 KMT2A (0.50) KMT2AALDH1A1AKR1B1AKR1B10CCR2
SCHEMBL2868944 0.76 ALDH1A1 (0.47) KMT2AALDH1A1TSHRL3MBTL1MEN1
SCHEMBL1576332 0.75 KMT2A (0.56) KMT2AALDH1A1AKR1B1CCR2CYP1A2

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 16 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
US-8492559-B2 Substituted indole compounds GRUENENTHAL GMBH (DE) 2013-07-23 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
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
EP-2393803-A1 SUBSTITUTED INDOLE COMPOUNDS AS BRADYKININ RECEPTOR 1 MODULATORS Grünenthal GmbH (DE) 2011-12-14 EP disclosed
US-20100222324-A1 Substituted Indole Compounds GRUENENTHAL GMBH (DE) 2010-09-02 US disclosed
WO-2010089084-A1 SUBSTITUTED INDOLE COMPOUNDS AS BRADYKININ RECEPTOR 1 MODULATORS Grünenthal GmbH (DE) 2010-08-12 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 (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-20100222324-A1 Substituted Indole Compounds BDKRB1, BDKRB2, EDNRB KMT2A 2512/4885APEX1 2906/4885ALDH1A1 1551/4885
US-20130102576-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS PDE4A, PDE3A, PDE4B KMT2A 3452/4885APEX1 602/4885ALDH1A1 58/4885

“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.