SCHEMBL451589

SCHEMBL451589

CCCCCCn1cc[n+](CCCCCC)c1-c1c2nc(c(-c3n(CCCCCC)cc[n+]3CCCCCC)c3ccc([nH]3)c(-c3n(CCCCCC)cc[n+]3CCCCCC)c3nc(c(-c4n(CCCCCC)cc[n+]4CCCCCC)c4ccc1[nH]4)C=C3)C=C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 5/20 0.41
▸ CA2 P00918 5/20 0.41
▸ TERT O14746 5/20 0.40
▸ MEN1 O00255 5/20 0.39
▸ KMT2A Q03164 5/20 0.39
▸ EEF2K O00418 2/20 0.39
▸ EEF2 P13639 2/20 0.39
▸ PLK4 O00444 1/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ EGFR P00533 1/20 0.39
▸ TYK2 P29597 1/20 0.39
▸ FLT3 P36888 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ ITK Q08881 1/20 0.39
▸ PIM2 Q9P1W9 1/20 0.39
▸ KDM4E B2RXH2 4/20 0.33
▸ NPC1 O15118 4/20 0.33
▸ HTT P42858 4/20 0.33
▸ RAB9A P51151 4/20 0.33
▸ SMN1; SMN2 Q16637 4/20 0.33

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
SCHEMBL30096016 0.75 NPC1 (0.45) TERTMEN1KMT2AKDM4ENPC1
SCHEMBL452116 0.75 NPC1 (0.45) TERTMEN1KMT2AKDM4ENPC1
SCHEMBL29935401 0.74 NPC1 (0.44) TERTMEN1KMT2AKDM4ENPC1
Hydrochloric Acid SCHEMBL16715320 0.72 TERT (0.71) TERTMEN1KMT2AKDM4ENPC1
SCHEMBL5294334 0.71 MEN1 (0.56) CA1CA2MEN1KMT2AEEF2K
SCHEMBL5286124 0.71 MEN1 (0.56) CA1CA2MEN1KMT2AEEF2K
SCHEMBL5810905 0.71 MEN1 (0.56) CA1CA2MEN1KMT2AEEF2K
SCHEMBL5330266 0.71 MEN1 (0.56) CA1CA2MEN1KMT2AEEF2K
SCHEMBL5810569 0.71 MEN1 (0.56) CA1CA2MEN1KMT2AEEF2K
SCHEMBL5302247 0.71 MEN1 (0.56) CA1CA2MEN1KMT2AEEF2K

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 CA1 411/4885CA2 2341/4885TERT 4141/4885

“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.

Send feedback