SCHEMBL6153995

SCHEMBL6153995

O=C(NC[C@H](O)CBr)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.62
RAB9A P51151 3/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
BACE1 P56817 1/20 0.56
GAA P10253 2/20 0.55
PRMT5 O14744 3/20 0.51
WDR77 Q9BQA1 1/20 0.51
EPHX2 P34913 1/20 0.49
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
ITGAV P06756 5/20 0.46
PRSS1 P07477 1/20 0.45
CTSG P08311 1/20 0.45
CTRB1 P17538 1/20 0.45
CMA1 P23946 1/20 0.45

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
SCHEMBL6153998 1.00 NPC1 (0.62) NPC1RAB9ASMN1; SMN2BACE1GAA
SCHEMBL3465056 0.84 NPC1 (0.64) NPC1RAB9ASMN1; SMN2BACE1GAA
SCHEMBL6154030 0.84 NPC1 (0.64) NPC1RAB9ASMN1; SMN2BACE1GAA
SCHEMBL9253556 0.82 NPC1 (0.57) NPC1RAB9ASMN1; SMN2BACE1GAA
SCHEMBL9830287 0.82 NPC1 (0.62) NPC1RAB9ASMN1; SMN2BACE1GAA
Hydrochloric Acid SCHEMBL27854881 0.82 NPC1 (0.62) NPC1RAB9ASMN1; SMN2BACE1GAA
SCHEMBL29280658 0.82 NPC1 (0.62) NPC1RAB9ASMN1; SMN2BACE1GAA
SCHEMBL28341767 0.82 NPC1 (0.62) NPC1RAB9ASMN1; SMN2BACE1GAA
SCHEMBL7561649 0.81 NPC1 (0.70) NPC1RAB9ASMN1; SMN2BACE1GAA
SCHEMBL11451182 0.79 SMN1; SMN2 (0.58) NPC1RAB9ASMN1; SMN2BACE1GAA

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-20050215801-A1 Process for preparation of optically active 1-substituted amino-2,3-epoxypropanes, intermediates for synthesis thereof and process for preparation of the intermediates KANEKA CORPORATION (JP) 2005-09-29 US disclosed
EP-1553093-A1 PROCESS FOR PREPARATION OF OPTICALLY ACTIVE 1-SUBSTITUTED AMINO-2,3-EPOXYPROPANES, INTERMEDIATES FOR THE SYNTHESIS THEREOF AND PROCESS FOR PREPARATION OF THE INTERMEDIATES KANEKA CORPORATION (JP) 2005-07-13 EP 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-20050215801-A1 Process for preparation of optically active 1-substituted amino-2,3-epoxypropanes, intermediates for synthesis thereof and process for preparation of the intermediates OXER1, RCC2, CBR3 NPC1 4434/4885RAB9A 2449/4885SMN1; SMN2 4620/4885

“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.