SCHEMBL450417

SCHEMBL450417

C[n+]1ccccc1C1=C2C=CC(=N2)C(c2cccc[n+]2C)=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 9)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 5/20 0.35
▸ MEN1 O00255 1/20 0.30
▸ PABPC1 P11940 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ ACHE P22303 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ HRH1 P35367 1/20 0.30
▸ PDE4D Q08499 1/20 0.30

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
SCHEMBL4263246 0.88 KDM4E (0.35) HDAC8RAB9A
SCHEMBL453032 0.78 KDM4E (0.31) MEN1RAB9AKMT2A
SCHEMBL450265 0.77 NPC1 (0.31) RAB9A
SCHEMBL452380 0.74 NPC1 (0.37) MEN1RAB9AKMT2AACHE
SCHEMBL449177 0.72 SMN1; SMN2 (0.44) MEN1RAB9AKMT2AACHETSHR
SCHEMBL448360 0.72 SMN1; SMN2 (0.44) MEN1RAB9AKMT2AACHETSHR
SCHEMBL452117 0.72 SMN1; SMN2 (0.44) MEN1RAB9AKMT2AACHETSHR
SCHEMBL3521680 0.72 — —
SCHEMBL452206 0.72 SMN1; SMN2 (0.44) MEN1RAB9AKMT2AACHETSHR
SCHEMBL3719754 0.71 HDAC8 (0.55) HDAC8MEN1PABPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065181-A1 METHOD OF PROVIDING NEUROPROTECTION USING SUBSTITUTED PORPHYRINS DUKE UNIVERSITY 2012-03-15 — — US disclosed
US-20080113956-A1 Substituted Porphyrins FRIDOVICH IRWIN 2008-05-15 — — 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-20080113956-A1 Substituted Porphyrins PPOX, GPX4, PRDX5 HDAC8 4371/4885MEN1 3668/4885PABPC1 3022/4885
US-20120065181-A1 METHOD OF PROVIDING NEUROPROTECTION USING SUBSTITUTED PORPHYRINS SOD1, PYGB, PSAP HDAC8 857/4885MEN1 3567/4885PABPC1 1935/4885

“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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