SCHEMBL20176432

SCHEMBL20176432

Cc1ccc(-c2ccccc2)cc1NC(=O)c1cc(N2CCN(C(=O)OC(C)(C)C)CC2)cs1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.54
HDAC2 Q92769 1/20 0.54
BACE1 P56817 3/20 0.51
KIT P10721 1/20 0.44
WNT3A P56704 1/20 0.44
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
NAMPT P43490 1/20 0.43
P2RX7 Q99572 1/20 0.42
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.42
ESR2 Q92731 1/20 0.42
GPR119 Q8TDV5 1/20 0.41
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41
ALK Q9UM73 1/20 0.41
MEN1 O00255 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 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
SCHEMBL20163042 0.90 HDAC1 (0.53) HDAC1HDAC2BACE1KITWNT3A
SCHEMBL20163086 0.76 MAPT (0.50) NAMPTMAPTALDH1A1GPR119CKS1B
SCHEMBL29803448 0.75 NAMPT (0.55) KITWNT3ANAMPTMAPTALDH1A1
SCHEMBL20163040 0.75 CTSS (0.42) BACE1KITWNT3ACTSSCTSK
SCHEMBL5542227 0.74 GPR119 (0.65) CTSSCTSKNAMPTMAPTALDH1A1
SCHEMBL20163022 0.74 HDAC2 (0.52) HDAC1HDAC2BACE1KITCTSS
SCHEMBL20163144 0.74 MAPT (0.48) NAMPTMAPTALDH1A1GPR119MEN1
SCHEMBL13164532 0.74 GPR119 (0.61) KITCTSSCTSKNAMPTMAPT
SCHEMBL23961022 0.73 BACE1 (0.51) HDAC2BACE1KITWNT3ACTSS
SCHEMBL20207460 0.72 BACE1 (0.51) HDAC1HDAC2BACE1KITWNT3A

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-20180141923-A1 SELECTIVE HDAC1,2 INHIBITORS REGENACY PHARMACEUTICALS, LLC 2018-05-24 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-20180141923-A1 SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 HDAC1 1/4885HDAC2 2/4885BACE1 740/4885

“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.