SCHEMBL452206

SCHEMBL452206

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 8/20 0.44
▸ HTT P42858 7/20 0.44
▸ NPC1 O15118 6/20 0.44
▸ RAB9A P51151 6/20 0.44
▸ KMT2A Q03164 6/20 0.44
▸ KDM4E B2RXH2 5/20 0.44
▸ MEN1 O00255 5/20 0.44
▸ NPSR1 Q6W5P4 3/20 0.44
▸ LMNA P02545 3/20 0.44
▸ MAPK1 P28482 3/20 0.44
▸ RAD52 P43351 3/20 0.44
▸ HSP90AA1 P07900 2/20 0.44
▸ RGS12 O14924 1/20 0.44
▸ USP2 O75604 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ MCL1 Q07820 1/20 0.44
▸ POLB P06746 1/20 0.41
▸ 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
SCHEMBL449177 1.00 SMN1; SMN2 (0.44) SMN1; SMN2HTTNPC1RAB9AKMT2A
SCHEMBL452117 1.00 SMN1; SMN2 (0.44) SMN1; SMN2HTTNPC1RAB9AKMT2A
SCHEMBL448360 1.00 SMN1; SMN2 (0.44) SMN1; SMN2HTTNPC1RAB9AKMT2A
SCHEMBL452380 0.94 NPC1 (0.37) SMN1; SMN2HTTNPC1RAB9AKMT2A
SCHEMBL450265 0.88 NPC1 (0.31) SMN1; SMN2NPC1RAB9APOLB
SCHEMBL446700 0.87 NPC1 (0.37) SMN1; SMN2HTTNPC1RAB9AKMT2A
SCHEMBL449282 0.87 NPC1 (0.37) SMN1; SMN2HTTNPC1RAB9AKMT2A
SCHEMBL447626 0.87 NPC1 (0.37) SMN1; SMN2HTTNPC1RAB9AKMT2A
SCHEMBL3521680 0.81 — —
Hydrochloric Acid SCHEMBL8179702 0.77 SMN1; SMN2 (0.59) SMN1; SMN2HTTNPC1RAB9AKMT2A

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 SMN1; SMN2 4/4885HTT 402/4885NPC1 955/4885

“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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