SCHEMBL3522520

SCHEMBL3522520

CCc1c2nc(c(-c3ccccn3)c3ccc(cc4nc(cc5ccc1[nH]5)C=C4)[nH]3)C=C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.47
▸ STAT1 P42224 1/20 0.47
▸ NPC1 O15118 6/20 0.37
▸ RAB9A P51151 6/20 0.37
▸ SMN1; SMN2 Q16637 4/20 0.37
▸ LMNA P02545 3/20 0.37
▸ MAPT P10636 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ AGTR1 P30556 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CBFB Q13951 10/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ METAP2 P50579 4/20 0.35
▸ METAP1 P53582 3/20 0.35
▸ TERT O14746 1/20 0.34
▸ PKM P14618 3/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HPGD P15428 2/20 0.33
▸ MTOR P42345 1/20 0.33
▸ RUNX1 Q01196 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
SCHEMBL9582368 0.89 STAT3 (0.57) STAT3STAT1NPC1RAB9ASMN1; SMN2
SCHEMBL3518268 0.89 STAT3 (0.43) STAT3STAT1NPC1RAB9ASMN1; SMN2
SCHEMBL6009229 0.86 STAT3 (0.45) STAT3STAT1NPC1RAB9ASMN1; SMN2
SCHEMBL460724 0.86 STAT3 (0.59) STAT3STAT1NPC1RAB9ASMN1; SMN2
SCHEMBL3520923 0.82 STAT3 (0.42) STAT3STAT1TERT
SCHEMBL3522525 0.81 CBFB (0.40) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL144247 0.80 STAT3 (0.47) STAT3STAT1
Acetoacetic Acid SCHEMBL9748613 0.78 STAT3 (0.48) STAT3STAT1NPC1RAB9ASMN1; SMN2
SCHEMBL432185 0.75 KDM4E (0.46) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL29822398 0.75 KDM4E (0.46) NPC1RAB9ASMN1; SMN2LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024215973-A1 METALLOPORPHYRINS FOR REDUCING ISCHAEMIA-REPERFUSION INJURIES BIOMIMETIX JV, LLC (US) 2024-10-17 — — WO 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
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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