SCHEMBL2545014

SCHEMBL2545014

O=C(O)[C@@H](O)[C@H](Cc1ccccc1)C(=O)N1CCN(c2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.51
CHRM4 P08173 6/20 0.51
MAPK1 P28482 2/20 0.50
TP53 P04637 1/20 0.50
MAPT P10636 1/20 0.50
ALOX15 P16050 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HTT P42858 1/20 0.47
CHRM2 P08172 2/20 0.46
POLB P06746 2/20 0.45
CTSS P25774 2/20 0.44
FPR2 P25090 1/20 0.43
KDM4E B2RXH2 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
SCHEMBL2250621 1.00 KCNA5 (0.51) KCNA5CHRM4MAPK1TP53MAPT
SCHEMBL2247550 0.90 CHRM4 (0.49) KCNA5CHRM4MAPK1TP53MAPT
SCHEMBL2248028 0.84 CHRM2 (0.55) CHRM4CHRM2
SCHEMBL2547214 0.80 KCNA5 (0.51) KCNA5CHRM4MAPK1MAPTALOX15
SCHEMBL2249060 0.80 KCNA5 (0.51) KCNA5CHRM4MAPK1MAPTALOX15
SCHEMBL1825906 0.75 PTPN1 (0.50) FPR2
SCHEMBL1825908 0.75 PTPN1 (0.50) FPR2
SCHEMBL2243961 0.75 CHRM2 (0.55) CHRM4CHRM2
SCHEMBL8271444 0.75 CHRM2 (0.55) CHRM4CHRM2
SCHEMBL9104053 0.74 KCNA5 (0.62) KCNA5CHRM4MAPK1MAPTALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110263628-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2011-10-27 US claimed

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-20110263628-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF HNMT, HCAR2, HPGD KCNA5 3352/4885CHRM4 1379/4885MAPK1 2873/4885

“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.