SCHEMBL3520097

SCHEMBL3520097

CCCCCCc1cc2cc3nc(cc4ccc(cc5nc(cc1[nH]2)C=C5)[nH]4)C=C3

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ ALOX5 P09917 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ TYR P14679 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ GPR84 Q9NQS5 4/20 0.34
▸ TLR8 Q9NR97 1/20 0.34
▸ PTGS2 P35354 3/20 0.33
▸ S1PR4 O95977 1/20 0.33
▸ S1PR1 P21453 1/20 0.33
▸ S1PR5 Q9H228 1/20 0.33
▸ STAT3 P40763 1/20 0.33
▸ STAT1 P42224 1/20 0.33

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
SCHEMBL7647117 1.00 KCNH2 (0.35) KCNH2MEN1TP53CYP3A4ALOX5
SCHEMBL27884482 1.00 KCNH2 (0.35) KCNH2MEN1TP53CYP3A4ALOX5
SCHEMBL3522374 1.00 KCNH2 (0.35) KCNH2MEN1TP53CYP3A4ALOX5
SCHEMBL27901576 1.00 KCNH2 (0.35) KCNH2MEN1TP53CYP3A4ALOX5
SCHEMBL28044443 1.00 KCNH2 (0.35) KCNH2MEN1TP53CYP3A4ALOX5
SCHEMBL15510966 1.00 KCNH2 (0.35) KCNH2MEN1TP53CYP3A4ALOX5
SCHEMBL29560227 1.00 KCNH2 (0.35) KCNH2MEN1TP53CYP3A4ALOX5
SCHEMBL28598440 0.99 KCNH2 (0.34) KCNH2MEN1TP53CYP3A4ALOX5
SCHEMBL28782992 0.99 KCNH2 (0.34) KCNH2MEN1TP53CYP3A4ALOX5
SCHEMBL5133633 0.99 TLR8 (0.35) KCNH2MEN1TP53CYP3A4ALOX5

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
CN-103097390-B β functionalization dihydroxy chlorin is used for the application of PDT 拜欧利泰克投资二代公司 2017-03-08 — — 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
CN-103097390-A Application of beta-functionalized dihydroxy-chlorins for PDT CERAMOPTEC GMBH 2013-05-08 — — CN 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

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 KCNH2 2226/4885MEN1 831/4885TP53 172/4885
US-20120264725-A1 SUBSTITUTED PORPHYRINS PPOX, FECH, MB KCNH2 2226/4885MEN1 831/4885TP53 172/4885
US-20080021007-A1 Substituted Porphyrins SOD3, SOD1, PRDX3 KCNH2 1800/4885MEN1 1306/4885TP53 3577/4885
US-20140080797-A1 SUBSTITUTED PORPHYRINS PPOX, FECH, MB KCNH2 2226/4885MEN1 831/4885TP53 172/4885
US-20100305083-A1 SUBSTITUTED PORPHYRINS SOD3, SOD1, PRDX3 KCNH2 1738/4885MEN1 1256/4885TP53 3222/4885

“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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