SCHEMBL20163155

SCHEMBL20163155

Nc1cc(-c2ccoc2)ccc1NC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 9/20 0.58
HDAC1 Q13547 3/20 0.48
SERPINE1 P05121 3/20 0.43
HDAC3 O15379 6/20 0.42
ERN1 O75460 1/20 0.41
P2RY14 Q15391 1/20 0.40
CNR1 P21554 1/20 0.40
ABCB1 P08183 1/20 0.40
IKBKE Q14164 1/20 0.39
TBK1 Q9UHD2 1/20 0.39
ABCC1 P33527 1/20 0.39

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
SCHEMBL5869119 0.80 HDAC2 (0.47) HDAC2HDAC1HDAC3ABCB1
SCHEMBL30058274 0.80 HDAC2 (0.47) HDAC2HDAC1HDAC3ABCB1
SCHEMBL651882 0.79 HDAC1 (0.57) HDAC2HDAC1HDAC3ABCB1ABCC1
SCHEMBL13735115 0.76 HDAC1 (0.55) HDAC2HDAC1HDAC3ABCB1ABCC1
SCHEMBL2643778 0.75 GAA (0.54) HDAC2HDAC1SERPINE1
SCHEMBL7467565 0.75 AAK1 (0.61) HDAC2HDAC1HDAC3ABCB1ABCC1
SCHEMBL20163156 0.75 HDAC2 (0.60) HDAC2HDAC3ERN1
SCHEMBL975555 0.73 KCNH2 (0.56) HDAC1ERN1P2RY14CNR1ABCB1
SCHEMBL13735378 0.73 HDAC1 (0.52) HDAC2HDAC1HDAC3ABCB1ABCC1
SCHEMBL1015956 0.72 ALDH1A1 (0.44) HDAC2HDAC1ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11542242-B2 Substituted piperazines as selective HDAC1,2 inhibitors REGENACY PHARMACEUTICALS, LLC (US) 2023-01-03 US disclosed
US-20200377465-A1 SUBSTITUTED PIPERAZINES AS SELECTIVE HDAC1,2 INHIBITORS REGENACY PHARMACEUTICALS, LLC 2020-12-03 US disclosed
US-10774056-B2 Substituted piperazines as selective HDAC1,2 inhibitors REGENACY PHARMACEUTICALS, INC. (US) 2020-09-15 US disclosed
US-20190330169-A1 SELECTIVE HDAC1,2 INHIBITORS REGENACY PHARMACEUTICALS, LLC 2019-10-31 US disclosed
EP-3544969-A1 PIPERAZINE DERIVATIVES AS SELECTIVE HDAC1,2 INHIBITORS Regenacy Pharmaceuticals, LLC (US) 2019-10-02 EP disclosed
US-10385031-B2 Substituted piperazines as selective HDAC1,2 inhibitors REGENACY PHARMACEUTICALS, LLC (US) 2019-08-20 US disclosed
WO-2018098296-A1 PIPERAZINE DERIVATIVES AS SELECTIVE HDAC1,2 INHIBITORS REGENACY PHARMACEUTICALS, LLC (US) 2018-05-31 WO disclosed
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 (6 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-10385031-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 HDAC2 2/4885HDAC1 1/4885SERPINE1 2257/4885
US-11542242-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 HDAC2 2/4885HDAC1 1/4885SERPINE1 2257/4885
US-20180141923-A1 SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 HDAC2 2/4885HDAC1 1/4885SERPINE1 1184/4885
US-10774056-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 HDAC2 2/4885HDAC1 1/4885SERPINE1 2259/4885
US-20200377465-A1 SUBSTITUTED PIPERAZINES AS SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 HDAC2 2/4885HDAC1 1/4885SERPINE1 2164/4885
US-20190330169-A1 SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 HDAC2 2/4885HDAC1 1/4885SERPINE1 1184/4885

“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.