SCHEMBL6153903

SCHEMBL6153903

O=C(NCC(CCl)OC(=O)c1ccccc1)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.53
SLC6A3 Q01959 1/20 0.53
KMT2A Q03164 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
HTT P42858 1/20 0.50
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CYP2D6 P10635 1/20 0.44
SYK P43405 1/20 0.44
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TACR1 P25103 1/20 0.43
P2RX7 Q99572 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SLC1A3 P43003 1/20 0.43
SLC1A1 P43005 1/20 0.43
TGM2 P21980 1/20 0.42
CASP1 P29466 1/20 0.42
CTRB1 P17538 1/20 0.42

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
SCHEMBL6153899 1.00 SLC6A2 (0.53) SLC6A2SLC6A3KMT2ATDP1HTT
SCHEMBL6154638 0.87 ALDH1A1 (0.50) HTTLMNASMN1; SMN2SYKMAPT
SCHEMBL6153937 0.87 ALDH1A1 (0.50) HTTLMNASMN1; SMN2SYKMAPT
SCHEMBL6153940 0.87 ALDH1A1 (0.50) HTTLMNASMN1; SMN2SYKMAPT
SCHEMBL6154371 0.83 HTT (0.49) HTTLMNASMN1; SMN2SYKMAPT
SCHEMBL6154443 0.82 HTT (0.50) SLC6A2SLC6A3KMT2ATDP1HTT
SCHEMBL6154439 0.82 HTT (0.50) SLC6A2SLC6A3KMT2ATDP1HTT
SCHEMBL29280659 0.80 SMN1; SMN2 (0.51) SLC6A3KMT2AHTTLMNASMN1; SMN2
SCHEMBL27962229 0.80 SMN1; SMN2 (0.51) SLC6A3KMT2AHTTLMNASMN1; SMN2
SCHEMBL6153407 0.79 LMNA (0.55) SLC6A2SLC6A3KMT2ATDP1HTT

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 SLC6A2 4797/4885SLC6A3 4308/4885KMT2A 4293/4885

“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.