SCHEMBL7992480

SCHEMBL7992480

COC(=O)N[C@H](C(=O)N/N=C/c1ccc(-c2ccccn2)cc1)C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
UGT1A1 P22309 3/20 0.49
MLNR O43193 1/20 0.49
NR1I2 O75469 1/20 0.49
SLCO2B1 O94956 1/20 0.49
ABCB11 O95342 1/20 0.49
ABCB1 P08183 1/20 0.49
CCKAR P32238 1/20 0.49
OPRK1 P41145 1/20 0.49
GHSR Q92847 1/20 0.49
SLCO1B3 Q9NPD5 1/20 0.49
ABCG2 Q9UNQ0 1/20 0.49
SLCO1B1 Q9Y6L6 1/20 0.49
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
GAA P10253 3/20 0.44
LMNA P02545 1/20 0.43
POLB P06746 2/20 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
SCHEMBL2286150 1.00 HDAC3 (0.50) HDAC3HDAC1HDAC2UGT1A1MLNR
SCHEMBL8231684 1.00 HDAC3 (0.50) HDAC3HDAC1HDAC2UGT1A1MLNR
SCHEMBL1705403 1.00 HDAC3 (0.50) HDAC3HDAC1HDAC2UGT1A1MLNR
SCHEMBL3805950 1.00 HDAC3 (0.50) HDAC3HDAC1HDAC2UGT1A1MLNR
SCHEMBL12377136 1.00 HDAC3 (0.50) HDAC3HDAC1HDAC2UGT1A1MLNR
SCHEMBL3551181 0.90 HDAC3 (0.52) HDAC3HDAC1HDAC2UGT1A1MLNR
SCHEMBL3551184 0.90 HDAC3 (0.52) HDAC3HDAC1HDAC2UGT1A1MLNR
SCHEMBL12496360 0.86 RAB9A (0.50) HDAC3HDAC1HDAC2NPC1RAB9A
SCHEMBL8228306 0.84 LMNA (0.48) HDAC3HDAC1HDAC2NPC1RAB9A
SCHEMBL8230391 0.83 SMN1; SMN2 (0.52) NPC1RAB9AGAALMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090270499-A1 Process for Synthesizing Atazanavir OXYRANE (UK) LIMITED (UK) 2009-10-29 US disclosed
US-20090270499-A1 Process for Synthesizing Atazanavir OXYRANE (UK) LIMITED (UK) 2009-10-29 US disclosed
WO-2009130534-A1 PROCESS FOR SYNTHESIZING ATAZANAVIR OXYRANE (PTY) LTD. (ZA) 2009-10-29 WO 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-20090270499-A1 Process for Synthesizing Atazanavir SAMHD1, TYMS, COASY HDAC3 1510/4885HDAC1 1488/4885HDAC2 1551/4885

“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.