SCHEMBL2550452

SCHEMBL2550452

CC(C)C[C@H](C(=O)N1CCN(c2ccc(Br)cn2)CC1)[C@@H]1OC(C)(C)OC1=O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 3/20 0.46
AKR1C3 P42330 1/20 0.44
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 2/20 0.39
ACACB O00763 1/20 0.37
CXCR3 P49682 1/20 0.37
CETP P11597 1/20 0.37
CHRM1 P11229 3/20 0.36
KMT2A Q03164 1/20 0.36
OGA O60502 1/20 0.36
TIPARP Q7Z3E1 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL2249085 1.00 PANK3 (0.46) PANK3AKR1C3KDM4EALDH1A1NPSR1
SCHEMBL2550594 0.89 PANK3 (0.46) PANK3KDM4EALDH1A1NPSR1HSD17B10
SCHEMBL2249362 0.89 PANK3 (0.46) PANK3KDM4EALDH1A1NPSR1HSD17B10
SCHEMBL2252896 0.85 KDM4E (0.55) PANK3KDM4EALDH1A1NPSR1HSD17B10
SCHEMBL2248062 0.85 KDM4E (0.55) PANK3KDM4EALDH1A1NPSR1HSD17B10
SCHEMBL2249244 0.81 LMNA (0.42) KDM4EALDH1A1NPSR1HSD17B10KMT2A
SCHEMBL2552704 0.81 LMNA (0.42) KDM4EALDH1A1NPSR1HSD17B10KMT2A
SCHEMBL3873237 0.78 LMNA (0.46) PANK3AKR1C3KMT2ASMN1; SMN2
SCHEMBL2246826 0.78 LMNA (0.46) PANK3AKR1C3KMT2ASMN1; SMN2
SCHEMBL2551845 0.78 LMNA (0.46) PANK3AKR1C3KMT2ASMN1; SMN2

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 PANK3 3763/4885AKR1C3 645/4885KDM4E 2539/4885

“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.