SCHEMBL449282

SCHEMBL449282

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

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ RGS12 O14924 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ RAD52 P43351 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ BCHE P06276 12/20 0.31
▸ ACHE P22303 12/20 0.31

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
SCHEMBL446700 1.00 NPC1 (0.37) NPC1RAB9ASMN1; SMN2POLBKDM4E
SCHEMBL447626 1.00 NPC1 (0.37) NPC1RAB9ASMN1; SMN2POLBKDM4E
SCHEMBL3521680 0.90 — —
SCHEMBL452206 0.87 SMN1; SMN2 (0.44) NPC1RAB9ASMN1; SMN2POLBKDM4E
SCHEMBL448360 0.87 SMN1; SMN2 (0.44) NPC1RAB9ASMN1; SMN2POLBKDM4E
SCHEMBL452117 0.87 SMN1; SMN2 (0.44) NPC1RAB9ASMN1; SMN2POLBKDM4E
SCHEMBL449177 0.87 SMN1; SMN2 (0.44) NPC1RAB9ASMN1; SMN2POLBKDM4E
SCHEMBL452380 0.84 NPC1 (0.37) NPC1RAB9ASMN1; SMN2POLBKDM4E
SCHEMBL450265 0.81 NPC1 (0.31) NPC1RAB9ASMN1; SMN2POLB
SCHEMBL453032 0.77 KDM4E (0.31) NPC1RAB9ASMN1; SMN2KDM4EMEN1

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20120065181-A1 METHOD OF PROVIDING NEUROPROTECTION USING SUBSTITUTED PORPHYRINS SOD1, PYGB, PSAP NPC1 955/4885RAB9A 3499/4885SMN1; SMN2 4/4885

“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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