SCHEMBL480532

SCHEMBL480532

COc1cc2cc3nc(cc4ccc(cc5nc(cc1[nH]2)C=C5)[nH]4)C=C3

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.37
▸ STAT1 P42224 1/20 0.37
▸ AMY1A P0DUB6 7/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ SMPD3 Q9NY59 3/20 0.32
▸ NOX1 Q9Y5S8 2/20 0.32
▸ EHMT2 Q96KQ7 1/20 0.32
▸ GRIN2D O15399 1/20 0.32
▸ GRIN3B O60391 1/20 0.32
▸ GRIN1 Q05586 1/20 0.32
▸ GRIN2A Q12879 1/20 0.32
▸ GRIN2B Q13224 1/20 0.32
▸ GRIN2C Q14957 1/20 0.32
▸ GRIN3A Q8TCU5 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ HPGD P15428 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ MAPT P10636 1/20 0.31

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
SCHEMBL18670789 0.90 STAT3 (0.32) STAT3STAT1SMPD3
SCHEMBL27633442 0.83 MAPT (0.36) STAT3STAT1SMPD3KDM4EALDH1A1
Methoxymethane SCHEMBL27581743 0.82 STAT3 (0.38) STAT3STAT1
SCHEMBL3276862 0.81 ALDH1A1 (0.43) STAT3STAT1AMY1AKDM4EALDH1A1
SCHEMBL7738113 0.80 STAT3 (0.41) STAT3STAT1
SCHEMBL7738107 0.80 STAT3 (0.41) STAT3STAT1
SCHEMBL164026 0.80 STAT3 (0.41) STAT3STAT1
SCHEMBL27689652 0.80 STAT3 (0.35) STAT3STAT1
SCHEMBL6479855 0.78 STAT3 (0.49) STAT3STAT1
SCHEMBL9866324 0.78 STAT3 (0.49) STAT3STAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111051288-B Industrial process for monoalkylating piperidine nitrogen in piperidine derivatives with deuterated alkyl groups 大塚制药株式会社 2023-08-25 — — CN disclosed
EP-1718201-B1 SUBSTITUTED PORPHYRINS UNIV DUKE (US) 2016-09-14 — — EP disclosed
US-20150344509-A1 SUBSTITUTED PORPHYRINS UNIV DUKE (US) 2015-12-03 — — US disclosed
US-9096628-B2 Substituted porphyrins DUKE UNIVERSITY (US) 2015-08-04 — — US disclosed
US-20140080797-A1 SUBSTITUTED PORPHYRINS DUKE UNIVERSITY (US) 2014-03-20 — — US disclosed
US-8618089-B2 Substituted porphyrins DUKE UNIVERSITY (US) 2013-12-31 — — US disclosed
US-20120264725-A1 SUBSTITUTED PORPHYRINS BATINIC-HABERLE INES (US) 2012-10-18 — — US disclosed
US-8183364-B2 Substituted porphyrins DUKE UNIVERSITY (US) 2012-05-22 — — US disclosed
EP-1274983-B1 COLORIMETRIC ARTIFICIAL NOSE HAVING AN ARRAY OF DYES AND METHOD FOR ARTIFICIAL OLFACTION UNIV ILLINOIS (US) 2012-02-01 — — EP disclosed
US-20100305083-A1 SUBSTITUTED PORPHYRINS BATINIC-HABERLE INES 2010-12-02 — — US disclosed
US-7807825-B2 Substituted porphyrins DUKE UNIVERSITY (US) 2010-10-05 — — US disclosed
US-20080021007-A1 Substituted Porphyrins NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-01-24 — — US disclosed
US-7261857-B2 Colorimetric artificial nose having an array of dyes and method for artificial olfaction THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2007-08-28 — — US disclosed
EP-1718201-A1 SUBSTITUTED PORPHYRINS Duke University (US) 2006-11-08 — — EP disclosed
WO-2005077269-A1 SUBSTITUTED PORPHYRINS DUKE UNIVERSITY (US) 2005-08-25 — — WO disclosed
US-20030166298-A1 Colorimetric artificial nose having an array of dyes and method for artificial olfaction BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2003-09-04 — — US disclosed
US-20030143112-A1 Colorimetric artificial nose having an array of dyes and method for artificial olfaction BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2003-07-31 — — US disclosed
US-20030129085-A1 Siloxy porpyhrins and metal complexes thereof BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2003-07-10 — — US disclosed
US-6495102-B1 Colorimetric artificial nose having an array of dyes and method of artificial olfaction BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2002-12-17 — — 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 (5 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-20150344509-A1 SUBSTITUTED PORPHYRINS PPOX, FECH, MB STAT3 546/4885STAT1 729/4885AMY1A 1486/4885
US-20120264725-A1 SUBSTITUTED PORPHYRINS PPOX, FECH, MB STAT3 546/4885STAT1 729/4885AMY1A 1486/4885
US-20080021007-A1 Substituted Porphyrins SOD3, SOD1, PRDX3 STAT3 4525/4885STAT1 4424/4885AMY1A 1527/4885
US-20140080797-A1 SUBSTITUTED PORPHYRINS PPOX, FECH, MB STAT3 546/4885STAT1 729/4885AMY1A 1486/4885
US-20100305083-A1 SUBSTITUTED PORPHYRINS SOD3, SOD1, PRDX3 STAT3 4527/4885STAT1 4415/4885AMY1A 1202/4885

“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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