SCHEMBL5451799

SCHEMBL5451799

CCOC(=O)c1cc(N(S(=O)(=O)CCCCl)S(=O)(=O)CCCCl)c2ncn(CC)c2c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.33
RAB9A P51151 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
RECQL P46063 1/20 0.33
MAPK10 P53779 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.31
NLRP3 Q96P20 1/20 0.31

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
SCHEMBL6275887 0.69 CYP4F2 (0.45) NPC1RAB9ASMN1; SMN2CA2CYP1A2
SCHEMBL5219842 0.65 KDM4E (0.40) NPC1RAB9ASMN1; SMN2CA12CA1
SCHEMBL5221511 0.65 ALDH1A1 (0.39) NPC1RAB9ASMN1; SMN2CYP1A2CYP2D6
SCHEMBL9039147 0.64 NPC1 (0.50) NPC1RAB9ASMN1; SMN2RECQLMAPK10
SCHEMBL9126131 0.64 RAB9A (0.57) NPC1RAB9ASMN1; SMN2RECQLMAPK10
SCHEMBL309368 0.64 KDM4E (0.41) NPC1RAB9ASMN1; SMN2CA12CA1
SCHEMBL9038215 0.62 HPGD (0.53) NPC1RAB9ASMN1; SMN2RECQLMAPK10
SCHEMBL7353327 0.61 NPC1 (0.42) NPC1RAB9ASMN1; SMN2RECQLMAPK10
SCHEMBL28565106 0.61 SMN1; SMN2 (0.42) NPC1RAB9ASMN1; SMN2RECQLMAPK10
SCHEMBL24376040 0.60 ALDH1A1 (0.46) RAB9ASMN1; SMN2RECQLMAPK10CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7253198-B2 Hydroxyethylamine derivatives for the treatment of Alzheimer's disease GLAXO GROUP LIMITED (GB) 2007-08-07 US disclosed
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease GLAXO GROUP LIMITED (GB) 2006-02-02 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-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease BACE2, PSEN2, BACE1 NPC1 1554/4885RAB9A 2403/4885SMN1; SMN2 478/4885

“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.