SCHEMBL3518268

SCHEMBL3518268

CCc1c2nc(c(-c3ccccn3)c3ccc(cc4nc(c(OC)c5ccc1[nH]5)C=C4)[nH]3)C=C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.43
▸ STAT1 P42224 1/20 0.43
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ RUNX1 Q01196 1/20 0.34
▸ CBFB Q13951 4/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ AGTR1 P30556 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ TERT O14746 1/20 0.32

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
SCHEMBL3522520 0.89 STAT3 (0.47) STAT3STAT1NPC1RAB9ARUNX1
SCHEMBL9582368 0.79 STAT3 (0.57) STAT3STAT1NPC1RAB9ACBFB
SCHEMBL460724 0.78 STAT3 (0.59) STAT3STAT1NPC1RAB9ACBFB
SCHEMBL6009229 0.77 STAT3 (0.45) STAT3STAT1NPC1RAB9ACBFB
SCHEMBL3276864 0.76 STAT3 (0.67) STAT3STAT1NPC1RAB9AALDH1A1
Acetoacetic Acid SCHEMBL9748613 0.75 STAT3 (0.48) STAT3STAT1NPC1RAB9ACBFB
SCHEMBL28422362 0.74 STAT3 (0.39) STAT3STAT1NPC1RAB9ARUNX1
SCHEMBL3522525 0.74 CBFB (0.40) NPC1RAB9ARUNX1CBFBALDH1A1
SCHEMBL480529 0.73 STAT3 (0.47) STAT3STAT1
SCHEMBL144247 0.73 STAT3 (0.47) 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 10 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

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 729/4885NPC1 2572/4885
US-20120264725-A1 SUBSTITUTED PORPHYRINS PPOX, FECH, MB STAT3 546/4885STAT1 729/4885NPC1 2572/4885
US-20080021007-A1 Substituted Porphyrins SOD3, SOD1, PRDX3 STAT3 4525/4885STAT1 4424/4885NPC1 2056/4885
US-20140080797-A1 SUBSTITUTED PORPHYRINS PPOX, FECH, MB STAT3 546/4885STAT1 729/4885NPC1 2572/4885
US-20100305083-A1 SUBSTITUTED PORPHYRINS SOD3, SOD1, PRDX3 STAT3 4527/4885STAT1 4415/4885NPC1 2159/4885

“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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