SCHEMBL3527775

SCHEMBL3527775

CCCCc1c2nc(cc3ccc(cc4nc(cc5ccc1[nH]5)C=C4)[nH]3)C=C2

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.43
▸ STAT1 P42224 1/20 0.43
▸ MAPT P10636 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ TSHR P16473 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ SIRT1 Q96EB6 1/20 0.30
▸ PARP1 P09874 1/20 0.30
▸ PKM P14618 1/20 0.30

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
SCHEMBL5133634 0.96 STAT3 (0.42) STAT3STAT1MAPTHTTHSD17B10
SCHEMBL7647119 0.95 STAT3 (0.41) STAT3STAT1MAPTHTTHSD17B10
SCHEMBL3522373 0.95 STAT3 (0.41) STAT3STAT1MAPTHTTHSD17B10
SCHEMBL6003904 0.95 STAT3 (0.41) STAT3STAT1MAPTHTTHSD17B10
SCHEMBL15510967 0.95 STAT3 (0.41) STAT3STAT1MAPTHTTHSD17B10
SCHEMBL3520094 0.95 STAT3 (0.41) STAT3STAT1MAPTHTTHSD17B10
Hydrochloric Acid SCHEMBL27872840 0.94 STAT3 (0.40) STAT3STAT1MAPTHTTHSD17B10
SCHEMBL4551743 0.93 STAT3 (0.44) STAT3STAT1MAPTHTTHSD17B10
SCHEMBL4944703 0.92 STAT3 (0.40) STAT3STAT1MAPTHTTHSD17B10
SCHEMBL17419215 0.92 STAT3 (0.43) STAT3STAT1MAPTHTTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2012135565-A1 MOLECULAR CARTESIAN-COORDINATE PLATFORMS UNIVERSITY OF CHICAGO (US) 2012-10-04 — — WO disclosed
US-8183364-B2 Substituted porphyrins DUKE UNIVERSITY (US) 2012-05-22 — — US 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-7485721-B2 Substituted porphyrins DUKE UNIVERSITY (US) 2009-02-03 — — US disclosed
US-20080207582-A1 Substituted Porphyrins DUKE UNIVERSITY (US) 2008-08-28 — — 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
EP-1513537-A4 SUBSTITUTED PORPHYRINS UNIV DUKE (US) 2006-09-06 — — EP disclosed
EP-1513537-A1 SUBSTITUTED PORPHYRINS DUKE UNIVERSITY (US) 2005-03-16 — — EP disclosed
US-20040058902-A1 Substituted porphyrins DUKE UNIVERSITY 2004-03-25 — — US disclosed
WO-2003103680-A1 SUBSTITUTED PORPHYRINS DUKE UNIVERSITY (US) 2003-12-18 — — 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 (7 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 729/4885MAPT 915/4885
US-20120264725-A1 SUBSTITUTED PORPHYRINS PPOX, FECH, MB STAT3 546/4885STAT1 729/4885MAPT 915/4885
US-20080021007-A1 Substituted Porphyrins SOD3, SOD1, PRDX3 STAT3 4525/4885STAT1 4424/4885MAPT 1837/4885
US-20080207582-A1 Substituted Porphyrins SOD3, MPO, SOD1 STAT3 1497/4885STAT1 1104/4885MAPT 4700/4885
US-20040058902-A1 Substituted porphyrins SOD1, SOD3, CAT STAT3 3010/4885STAT1 3134/4885MAPT 4506/4885
US-20140080797-A1 SUBSTITUTED PORPHYRINS PPOX, FECH, MB STAT3 546/4885STAT1 729/4885MAPT 915/4885
US-20100305083-A1 SUBSTITUTED PORPHYRINS SOD3, SOD1, PRDX3 STAT3 4527/4885STAT1 4415/4885MAPT 1749/4885

“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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