SCHEMBL20176420

SCHEMBL20176420

O=C(O)c1ncc(N2CCCCC2)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
LMNA P02545 2/20 0.39
THRB P10828 1/20 0.39
DPP4 P27487 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC2 Q92769 1/20 0.37
POLB P06746 3/20 0.37
KMT2A Q03164 2/20 0.37
PSMD14 O00487 1/20 0.37
MAPT P10636 1/20 0.37
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
SIRT3 Q9NTG7 1/20 0.36
KDM4E B2RXH2 4/20 0.35
GAA P10253 4/20 0.35
TDP1 Q9NUW8 2/20 0.35
HSD17B10 Q99714 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL5041530 0.84 SMN1; SMN2 (0.45) ALDH1A1LMNATHRBDPP4POLB
SCHEMBL15522283 0.84 SIRT2 (0.44) ALDH1A1LMNATHRBDPP4HDAC3
SCHEMBL28120145 0.73 ALDH1A1 (0.59) ALDH1A1LMNATHRBPOLBKMT2A
SCHEMBL14349555 0.73 ALDH1A1 (0.42) ALDH1A1LMNADPP4KMT2APSMD14
SCHEMBL28120163 0.73 ALDH1A1 (0.59) ALDH1A1LMNATHRBPOLBKMT2A
SCHEMBL11982534 0.72 DPP4 (0.49) ALDH1A1LMNADPP4POLBKMT2A
SCHEMBL15522284 0.72 GAA (0.46) ALDH1A1LMNATHRBPOLBKMT2A
SCHEMBL14800524 0.72 HDAC3 (0.41) ALDH1A1LMNATHRBHDAC3HDAC2
SCHEMBL186135 0.70 POLB (0.69) ALDH1A1LMNAPOLBKMT2AMAPT
SCHEMBL14575736 0.70 ALDH1A1 (0.56) ALDH1A1LMNATHRBHDAC3HDAC2

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 ALDH1A1 1155/4885LMNA 2856/4885THRB 3315/4885

“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.