SCHEMBL8235477

SCHEMBL8235477

C1CC[C@H]2NCCNCCNCCNCCN[C@@H]2CC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 2/20 0.37
CXCR4 P61073 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPK1 P28482 1/20 0.36
HIF1A Q16665 1/20 0.35
MAPT P10636 1/20 0.35
PDE4A P27815 1/20 0.35
KDR P35968 1/20 0.35
EPHX1 P07099 1/20 0.33
PKM P14618 1/20 0.32

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
SCHEMBL6156333 0.97 L3MBTL1 (0.40) L3MBTL1ALDH1A1CXCR4SMN1; SMN2MAPK1
SCHEMBL8237919 0.97 L3MBTL1 (0.40) L3MBTL1ALDH1A1CXCR4SMN1; SMN2MAPK1
SCHEMBL8422596 0.97 L3MBTL1 (0.40) L3MBTL1ALDH1A1CXCR4SMN1; SMN2MAPK1
SCHEMBL8237916 0.97 L3MBTL1 (0.40) L3MBTL1ALDH1A1CXCR4SMN1; SMN2MAPK1
SCHEMBL8235193 0.97 L3MBTL1 (0.40) L3MBTL1ALDH1A1CXCR4SMN1; SMN2MAPK1
SCHEMBL13104857 0.97 L3MBTL1 (0.40) L3MBTL1ALDH1A1CXCR4SMN1; SMN2MAPK1
Bromide SCHEMBL3966706 0.94 L3MBTL1 (0.39) L3MBTL1ALDH1A1CXCR4SMN1; SMN2MAPK1
SCHEMBL24340313 0.91 L3MBTL1 (0.43) L3MBTL1ALDH1A1MAPK1PKM
SCHEMBL22389997 0.87 L3MBTL1 (0.46) L3MBTL1ALDH1A1MAPK1PKM
SCHEMBL939664 0.87 L3MBTL1 (0.46) L3MBTL1ALDH1A1MAPK1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006083508-A2 COMBINATIONS OF SUPEROXIDE DISMUTASE MIMETICS AND NONSTEROIDAL ANALGESIC/ANTI-INFLAMMATORY DRUGS METAPHORE PHARMACEUTICALS INC. (US) 2006-08-10 WO disclosed
US-20050171198-A1 SODm therapy for treatment, prevention, inhibition and reversal of inflammatory disease METAPHORE PHARMACEUTICALS, INC. 2005-08-04 US disclosed
US-20050171198-A1 SODm therapy for treatment, prevention, inhibition and reversal of inflammatory disease METAPHORE PHARMACEUTICALS, INC. 2005-08-04 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-20050171198-A1 SODm therapy for treatment, prevention, inhibition and reversal of inflammatory disease SOD1, MPO, SOD3 L3MBTL1 3171/4885ALDH1A1 500/4885CXCR4 1255/4885

“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.