SCHEMBL2550241

SCHEMBL2550241

CC(C)C[C@H](C(=O)N1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1)[C@@H]1OC(C)(C)OC1=O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TNKS O95271 11/20 0.42
PARP1 P09874 6/20 0.42
PARP2 Q9UGN5 5/20 0.42
MAPT P10636 1/20 0.42
TNKS2 Q9H2K2 1/20 0.40
CCR1 P32246 3/20 0.39
HDAC3 O15379 1/20 0.39
CYP2C9 P11712 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ADAMTS5 Q9UNA0 1/20 0.38
GPR4 P46093 1/20 0.38
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TLR9 Q9NR96 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36

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
SCHEMBL2246770 1.00 TNKS (0.42) TNKSPARP1PARP2MAPTTNKS2
SCHEMBL3873237 0.78 LMNA (0.46) MAPTADAMTS5GAASMN1; SMN2
SCHEMBL2246826 0.78 LMNA (0.46) MAPTADAMTS5GAASMN1; SMN2
SCHEMBL2551845 0.78 LMNA (0.46) MAPTADAMTS5GAASMN1; SMN2
SCHEMBL2548883 0.77 TNKS (0.46) TNKSPARP1PARP2MAPTTNKS2
SCHEMBL2249278 0.77 MAPK1 (0.44) PARP1PARP2MAPTCCR1HTT
SCHEMBL2244550 0.77 TNKS (0.46) TNKSPARP1PARP2MAPTTNKS2
SCHEMBL2545653 0.77 MAPK1 (0.44) PARP1PARP2MAPTCCR1HTT
SCHEMBL2247888 0.76 MMP2 (0.47) TNKSPARP1PARP2MAPTTNKS2
SCHEMBL2553025 0.76 MMP2 (0.47) TNKSPARP1PARP2MAPTTNKS2

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.