SCHEMBL452116

SCHEMBL452116

CCCCCCCCCCCC[n+]1ccccc1-c1c2nc(c(-c3cccc[n+]3CCCCCCCCCCCC)c3ccc([nH]3)c(-c3cccc[n+]3CCCCCCCCCCCC)c3nc(c(-c4cccc[n+]4CCCCCCCCCCCC)c4ccc1[nH]4)C=C3)C=C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.45
▸ RAB9A P51151 6/20 0.45
▸ SMN1; SMN2 Q16637 6/20 0.45
▸ HTT P42858 6/20 0.45
▸ KDM4E B2RXH2 5/20 0.45
▸ MEN1 O00255 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ NPSR1 Q6W5P4 3/20 0.45
▸ LMNA P02545 2/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ RAD52 P43351 2/20 0.45
▸ RGS12 O14924 1/20 0.45
▸ USP2 O75604 1/20 0.45
▸ HSP90AA1 P07900 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ MCL1 Q07820 1/20 0.45
▸ TERT O14746 4/20 0.44
▸ ALDH1A1 P00352 4/20 0.40
▸ GAA P10253 4/20 0.40
▸ CYP1A2 P05177 1/20 0.40

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
SCHEMBL451943 1.00 NPC1 (0.45) NPC1RAB9ASMN1; SMN2HTTKDM4E
SCHEMBL448359 1.00 NPC1 (0.45) NPC1RAB9ASMN1; SMN2HTTKDM4E
SCHEMBL449176 1.00 NPC1 (0.45) NPC1RAB9ASMN1; SMN2HTTKDM4E
SCHEMBL30096016 1.00 NPC1 (0.45) NPC1RAB9ASMN1; SMN2HTTKDM4E
SCHEMBL29935401 0.99 NPC1 (0.44) NPC1RAB9ASMN1; SMN2HTTKDM4E
SCHEMBL452379 0.95 TERT (0.46) NPC1RAB9ASMN1; SMN2HTTKDM4E
SCHEMBL450264 0.89 TERT (0.48) TERT
SCHEMBL30096018 0.85 TERT (0.41) SMN1; SMN2HTTKDM4ELMNATERT
SCHEMBL16934676 0.85 TERT (0.41) SMN1; SMN2HTTKDM4ELMNATERT
SCHEMBL453031 0.85 TERT (0.52) TERT

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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