SCHEMBL3525003

SCHEMBL3525003

COCCc1[c]nccc1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.33
TSHR P16473 1/20 0.32
KCNA5 P22460 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
SCHEMBL7770583 0.89 DYRK1A (0.32) TSHRKCNA5
SCHEMBL17653626 0.81 MYC (0.35)
SCHEMBL5683250 0.81
SCHEMBL1850398 0.80
SCHEMBL2257684 0.78
SCHEMBL5683854 0.77
SCHEMBL933062 0.74 CHRNA7 (0.47)
SCHEMBL695229 0.74 L3MBTL1 (0.39)
SCHEMBL8829976 0.74
SCHEMBL303323 0.74

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 12 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
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-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-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

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 ADRA1A 4484/4885TSHR 4128/4885KCNA5 2101/4885
US-20120264725-A1 SUBSTITUTED PORPHYRINS PPOX, FECH, MB ADRA1A 4484/4885TSHR 4128/4885KCNA5 2101/4885
US-20080021007-A1 Substituted Porphyrins SOD3, SOD1, PRDX3 ADRA1A 4880/4885TSHR 3915/4885KCNA5 441/4885
US-20140080797-A1 SUBSTITUTED PORPHYRINS PPOX, FECH, MB ADRA1A 4484/4885TSHR 4128/4885KCNA5 2101/4885
US-20100305083-A1 SUBSTITUTED PORPHYRINS SOD3, SOD1, PRDX3 ADRA1A 4872/4885TSHR 3733/4885KCNA5 379/4885

“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.