SCHEMBL1314432

SCHEMBL1314432

O=C(NCC1CCN(Cc2cc(-c3ccccc3)no2)CC1)c1ccc(-c2ccccc2)o1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 4/20 0.54
HIF1A Q16665 1/20 0.50
HDAC3 O15379 5/20 0.48
HDAC4 P56524 5/20 0.48
HDAC1 Q13547 5/20 0.48
HDAC7 Q8WUI4 5/20 0.48
HDAC2 Q92769 5/20 0.48
HDAC10 Q969S8 5/20 0.48
HDAC11 Q96DB2 5/20 0.48
HDAC8 Q9BY41 5/20 0.48
HDAC6 Q9UBN7 5/20 0.48
HDAC9 Q9UKV0 5/20 0.48
HDAC5 Q9UQL6 5/20 0.48
ACHE P22303 2/20 0.45
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
GSK3B P49841 2/20 0.44
BCHE P06276 1/20 0.43

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
SCHEMBL1314384 0.95 USP30 (0.52) USP30HIF1AHDAC3HDAC4HDAC1
SCHEMBL1314237 0.93 MLLT1 (0.52) USP30HIF1AHDAC3HDAC4HDAC1
SCHEMBL15948271 0.86 USP30 (0.51) USP30HIF1AHDAC3HDAC4HDAC1
SCHEMBL12112336 0.84 USP30 (0.49) USP30HIF1AHDAC3HDAC4HDAC1
SCHEMBL1313591 0.83 HDAC3 (0.55) USP30HIF1AHDAC3HDAC4HDAC1
SCHEMBL1314099 0.83 CACNA1I (0.58) USP30HDAC3HDAC4HDAC1HDAC7
SCHEMBL1316537 0.81 CACNA1I (0.54) USP30HDAC3HDAC4HDAC1HDAC7
SCHEMBL1315256 0.81 USP30 (0.47) USP30HIF1AHDAC3HDAC4HDAC1
SCHEMBL1316510 0.81 MAOA (0.57) USP30HIF1AHDAC3HDAC4HDAC1
SCHEMBL1313513 0.80 HDAC3 (0.52) USP30HDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809538-B2 Piperidine-containing compounds and use thereof ARRAY BIOPHARMA INC. (US) 2014-08-19 US disclosed
US-8809538-B2 Piperidine-containing compounds and use thereof ARRAY BIOPHARMA INC. (US) 2014-08-19 US disclosed
US-20110275608-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF ARRAY BIOPHARMA INC. (US) 2011-11-10 US disclosed
US-20110275608-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF ARRAY BIOPHARMA INC. (US) 2011-11-10 US disclosed
WO-2010080864-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF ARRAY BIOPHARMA INC. (US) 2010-07-15 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-20110275608-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF NOS1, NOS2, ASS1 USP30 2479/4885HIF1A 156/4885HDAC3 1504/4885

“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.