SCHEMBL3311524

SCHEMBL3311524

O=C(O)Cn1c(=O)[nH]c2ccccc2c1=O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.73
KDM4E B2RXH2 3/20 0.73
HPGD P15428 3/20 0.73
MAPK1 P28482 1/20 0.69
HSD17B10 Q99714 1/20 0.69
SMN1; SMN2 Q16637 2/20 0.67
CYP1A2 P05177 1/20 0.64
KMT2A Q03164 4/20 0.59
CA12 O43570 1/20 0.56
RNASEH1 O60930 1/20 0.56
ERCC1 P07992 1/20 0.56
ERCC5 P28715 1/20 0.56
FEN1 P39748 1/20 0.56
CA9 Q16790 1/20 0.56
ERCC4 Q92889 1/20 0.56
MEN1 O00255 3/20 0.54
TSHR P16473 1/20 0.54
MPO P05164 2/20 0.52
ADORA3 P0DMS8 1/20 0.51
ADORA2A P29274 1/20 0.51

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
SCHEMBL11985495 0.86 CYP1A2 (0.67) ALDH1A1KDM4EHPGDMAPK1HSD17B10
SCHEMBL18125932 0.84 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDMAPK1HSD17B10
SCHEMBL14397537 0.84 KMT2A (0.67) ALDH1A1KDM4EHPGDSMN1; SMN2KMT2A
SCHEMBL3312291 0.82 CYP1A2 (0.61) ALDH1A1KDM4EHPGDMAPK1HSD17B10
SCHEMBL5406225 0.82 HSD17B10 (1.00) ALDH1A1KDM4EHPGDMAPK1HSD17B10
SCHEMBL32680072 0.82 CYP1A2 (0.61) ALDH1A1KDM4EHPGDMAPK1HSD17B10
SCHEMBL30877025 0.80 HPGD (1.00) ALDH1A1KDM4EHPGDMAPK1HSD17B10
SCHEMBL2255490 0.80 MEN1 (0.62) ALDH1A1KDM4EHPGDMAPK1HSD17B10
SCHEMBL6982894 0.80 HPGD (1.00) ALDH1A1KDM4EHPGDMAPK1HSD17B10
SCHEMBL13332558 0.80 CYP1A2 (0.62) ALDH1A1KDM4EHPGDMAPK1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200369626-A1 COMPOSITIONS OF SPHINGOSINE-1-PHOSPHATE RECEPTOR 2 (S1PR2) BINDING AGENTS AND USES THEREOF WASHINGTON UNIVERSITY (US) 2020-11-26 US disclosed
US-20200369626-A1 COMPOSITIONS OF SPHINGOSINE-1-PHOSPHATE RECEPTOR 2 (S1PR2) BINDING AGENTS AND USES THEREOF WASHINGTON UNIVERSITY (US) 2020-11-26 US 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-20140187550-A1 BICYCLIC ORGANIC COMPOUNDS SUITABLE FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS NOVARTIS AG (CH) 2014-07-03 US disclosed
US-8633211-B2 Bicyclic organic compounds suitable for the treatment of inflammatory or allergic conditions NOVARTIS AG (CH) 2014-01-21 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
US-20100113774-A1 BICYCLIC ORGANIC COMPOUNDS SUITABLE FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS NOVARTIS AG (CH) 2010-05-06 US disclosed
EP-2132186-A1 BICYCLIC ORGANIC COMPOUNDS SUITABLE FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS Novartis AG (CH) 2009-12-16 EP disclosed
WO-2008107436-A1 BICYCLIC ORGANIC COMPOUNDS SUITABLE FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS NOVARTIS AG (CH) 2008-09-12 WO disclosed
US-6407116-B1 2,4-DIOXO-1,2,3,4-TETRAHYDROQUINAZOLINE DERIVATIVES; ANTIALLERGENS, ANTIASTHMATICS, ANTIHISTAMINES, AND ANTIINFLAMMATORY AGENTS TAKEDA CHEMICAL INDUSTRIES, INC. (JP) 2002-06-18 US disclosed
EP-1026160-A1 NITROGENOUS FUSED-RING COMPOUNDS, PROCESS FOR THE PREPARATION OF THE SAME, AND DRUGS Takeda Chemical Industries, Ltd. (JP) 2000-08-09 EP disclosed
EP-0568540-A1 2,4-DIOXO-PYRIDO 2,3-d]PYRIMIDINE-3-ACETIC ACIDS AND ESTERS AND SALTS THEREOF PFIZER INC. (US) 1993-11-10 EP disclosed
WO-1992012979-A1 2,4-DIOXO-PYRIDO [2,3-d]PYRIMIDINE-3-ACETIC ACIDS AND ESTERS AND SALTS THEREOF PFIZER INC. (US) 1992-08-06 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 (4 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-20100113774-A1 BICYCLIC ORGANIC COMPOUNDS SUITABLE FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS S1PR3, S1PR1, S1PR2 ALDH1A1 1798/4885KDM4E 3052/4885HPGD 2063/4885
US-20130102576-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS PDE4A, PDE3A, PDE4B ALDH1A1 58/4885KDM4E 1220/4885HPGD 47/4885
US-20140187550-A1 BICYCLIC ORGANIC COMPOUNDS SUITABLE FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS S1PR3, S1PR1, S1PR2 ALDH1A1 1837/4885KDM4E 2815/4885HPGD 2160/4885
US-20200369626-A1 COMPOSITIONS OF SPHINGOSINE-1-PHOSPHATE RECEPTOR 2 (S1PR2) BINDING AGENTS AND USES THEREOF S1PR2, S1PR1, S1PR3 ALDH1A1 4592/4885KDM4E 4281/4885HPGD 3464/4885

“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.