SCHEMBL4263246

SCHEMBL4263246

C[n+]1ccccc1C1=C2C=CC(=N2)C(c2ccccn2)=C2C=CC(=N2)C(c2cccc[n+]2C)=C2C=CC(=N2)C(c2cccc[n+]2C)=C2C=CC1=N2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.35
▸ LMNA P02545 3/20 0.35
▸ CCR1 P32246 3/20 0.35
▸ CCR5 P51681 3/20 0.35
▸ CCR8 P51685 3/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ METAP1 P53582 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ DOHH Q9BU89 1/20 0.35
▸ P4HTM Q9NXG6 1/20 0.35
▸ TP53 P04637 3/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ ALOX15 P16050 2/20 0.32
▸ HTT P42858 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 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
SCHEMBL23631763 0.99 KDM4E (0.34) KDM4ELMNACCR1CCR5CCR8
SCHEMBL23631760 0.99 KDM4E (0.34) KDM4ELMNACCR1CCR5CCR8
SCHEMBL450417 0.88 HDAC8 (0.35) RAB9AHDAC8
SCHEMBL599823 0.82 KDM4E (0.52) KDM4ELMNACCR1CCR5CCR8
SCHEMBL2867444 0.77 KDM4E (0.50) KDM4ELMNACCR1CCR5CCR8
SCHEMBL22645657 0.77 KDM4E (0.50) KDM4ELMNACCR1CCR5CCR8
SCHEMBL4413920 0.74 KDM4E (0.43) KDM4ELMNACCR1CCR5CCR8
SCHEMBL4409178 0.74 KDM4E (0.43) KDM4ELMNACCR1CCR5CCR8
SCHEMBL4407509 0.74 KDM4E (0.43) KDM4ELMNACCR1CCR5CCR8
SCHEMBL4410148 0.74 KDM4E (0.43) KDM4ELMNACCR1CCR5CCR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20040058902-A1 Substituted porphyrins DUKE UNIVERSITY 2004-03-25 — — 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 (2 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-20080207582-A1 Substituted Porphyrins SOD3, MPO, SOD1 KDM4E 2112/4885LMNA 2896/4885CCR1 4333/4885
US-20040058902-A1 Substituted porphyrins SOD1, SOD3, CAT KDM4E 2083/4885LMNA 2264/4885CCR1 2903/4885

“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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