SCHEMBL3551184

SCHEMBL3551184

CC(C)(C)[C@H](NC(=O)O)C(=O)NN=Cc1ccc(-c2ccccn2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
GAA P10253 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
PKM P14618 3/20 0.43
POLB P06746 3/20 0.43
GFER P55789 2/20 0.43
LMNA P02545 2/20 0.43
ESRRG P62508 1/20 0.43
MAPT P10636 2/20 0.41
MLNR O43193 1/20 0.41
NR1I2 O75469 1/20 0.41
SLCO2B1 O94956 1/20 0.41
ABCB11 O95342 1/20 0.41
ABCB1 P08183 1/20 0.41
UGT1A1 P22309 1/20 0.41
CCKAR P32238 1/20 0.41

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
SCHEMBL3551181 1.00 HDAC3 (0.52) HDAC3HDAC1HDAC2NPC1RAB9A
SCHEMBL1705403 0.90 HDAC3 (0.50) HDAC3HDAC1HDAC2NPC1RAB9A
SCHEMBL12377136 0.90 HDAC3 (0.50) HDAC3HDAC1HDAC2NPC1RAB9A
SCHEMBL2286150 0.90 HDAC3 (0.50) HDAC3HDAC1HDAC2NPC1RAB9A
SCHEMBL7992480 0.90 HDAC3 (0.50) HDAC3HDAC1HDAC2NPC1RAB9A
SCHEMBL8231684 0.90 HDAC3 (0.50) HDAC3HDAC1HDAC2NPC1RAB9A
SCHEMBL3805950 0.90 HDAC3 (0.50) HDAC3HDAC1HDAC2NPC1RAB9A
SCHEMBL3550150 0.81 HDAC3 (0.65) HDAC3HDAC1HDAC2NPC1RAB9A
SCHEMBL27076797 0.81 HDAC3 (0.65) HDAC3HDAC1HDAC2NPC1RAB9A
SCHEMBL3550155 0.81 HDAC3 (0.65) HDAC3HDAC1HDAC2NPC1RAB9A

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
EP-1697348-B1 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LAB (US) 2011-12-28 EP disclosed
US-7696226-B2 HIV protease inhibiting compounds ABBOTT LABORATORIES (US) 2010-04-13 US disclosed
US-20050159469-A1 HIV protease inhibiting compounds ABBVIE INC. 2005-07-21 US 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-20050159469-A1 HIV protease inhibiting compounds SERPINB1, HPN, DNPEP HDAC3 1637/4885HDAC1 552/4885HDAC2 1851/4885

“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.