SCHEMBL3205826

SCHEMBL3205826

CCCN(CCC)CCN1CCN(S(=O)(=O)c2ccc(Cl)nc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.70
CYP2D6 P10635 1/20 0.70
POLB P06746 1/20 0.55
GAA P10253 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 2/20 0.44
NAMPT P43490 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
PKM P14618 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL3182368 0.87 ALDH1A1 (0.70) ALDH1A1CYP2D6POLBGAAKDM4E
SCHEMBL4062604 0.82 ALDH1A1 (1.00) ALDH1A1CYP2D6POLBGAAKDM4E
SCHEMBL3191393 0.81 POLB (0.74) ALDH1A1CYP2D6POLBGAAKDM4E
SCHEMBL4071582 0.81 ALDH1A1 (0.72) ALDH1A1CYP2D6POLBGAAKDM4E
SCHEMBL3199394 0.80 ALDH1A1 (0.70) ALDH1A1CYP2D6POLBGAAKDM4E
SCHEMBL3196506 0.79 ALDH1A1 (0.70) ALDH1A1CYP2D6POLBGAAKDM4E
SCHEMBL27641525 0.78 ALDH1A1 (0.42) ALDH1A1CYP2D6MAPTSIGMAR1
SCHEMBL3203109 0.78 POLB (0.72) ALDH1A1CYP2D6POLBPKML3MBTL1
SCHEMBL27641527 0.78 ALDH1A1 (0.42) ALDH1A1CYP2D6POLBMAPTNAMPT
SCHEMBL4129372 0.74 ALDH1A1 (0.70) ALDH1A1CYP2D6POLBGAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7683067-B2 3-heterocyclyl-indole derivatives as inhibitors of glycogen synthase kinase-3 (GSK-3) ASTRAZENECA AB (SE) 2010-03-23 US disclosed
US-20080275041-A1 3-Heterocyclyl-Indole Derivatives as Inhibitors of Glycogen Synthase Kinase-3 (Gsk-3) ASTRAZENECA AB (SE) 2008-11-06 US disclosed
EP-1667990-A2 NEW COMPOUNDS AstraZeneca AB (SE) 2006-06-14 EP disclosed
WO-2005027823-A2 3-HETEROCYCLYL-INDOLE DERIVATIVES AS INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3 (GSK-3) ASTRAZENECA AB (SE) 2005-03-31 WO 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-20080275041-A1 3-Heterocyclyl-Indole Derivatives as Inhibitors of Glycogen Synthase Kinase-3 (Gsk-3) GSK3B, GSK3A, GSKIP ALDH1A1 2460/4885CYP2D6 1098/4885POLB 1893/4885

“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.