SCHEMBL2548883

SCHEMBL2548883

CC(C)C[C@H](C(=O)N1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1)[C@H](O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TNKS O95271 12/20 0.46
PARP1 P09874 11/20 0.46
PARP2 Q9UGN5 10/20 0.46
MAPT P10636 1/20 0.46
HDAC3 O15379 1/20 0.42
CYP2C9 P11712 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
POLB P06746 2/20 0.42
TNKS2 Q9H2K2 1/20 0.40
GPR4 P46093 1/20 0.39
GRM5 P41594 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL2244550 1.00 TNKS (0.46) TNKSPARP1PARP2MAPTHDAC3
SCHEMBL2247888 0.90 MMP2 (0.47) TNKSPARP1PARP2MAPTHDAC3
SCHEMBL2553025 0.90 MMP2 (0.47) TNKSPARP1PARP2MAPTHDAC3
SCHEMBL14637530 0.78 MAPT (0.55) TNKSPARP1PARP2MAPTHDAC3
SCHEMBL2246770 0.77 TNKS (0.42) TNKSPARP1PARP2MAPTHDAC3
SCHEMBL2550241 0.77 TNKS (0.42) TNKSPARP1PARP2MAPTHDAC3
SCHEMBL14637620 0.73 TNKS (0.54) TNKSPARP1PARP2MAPTHDAC3
SCHEMBL12026462 0.73 HTR4 (0.54) MAPTPOLBGRM5
SCHEMBL12049758 0.72 GRM5 (0.54) MAPTPOLBGRM5
SCHEMBL2547059 0.72 POLB (0.47) MAPTPOLBGAASMN1; 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 TNKS 3298/4885PARP1 1144/4885PARP2 1017/4885

“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.