SCHEMBL20163089

SCHEMBL20163089

CC(C)(C)OC(=O)N(N)c1ccc(-c2ccco2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.49
TSHR P16473 1/20 0.49
KMT2A Q03164 1/20 0.49
GPR119 Q8TDV5 1/20 0.46
GABRA1 P14867 2/20 0.42
GABRG2 P18507 2/20 0.42
GABRB3 P28472 2/20 0.42
GABRA5 P31644 2/20 0.42
GABRA3 P34903 2/20 0.42
GABRA2 P47869 2/20 0.42
GABRA6 Q16445 2/20 0.42
TAAR1 Q96RJ0 5/20 0.42
SLC6A4 P31645 3/20 0.38
SLC6A3 Q01959 3/20 0.38
PPARD Q03181 1/20 0.37
CYP2C9 P11712 1/20 0.37
FFAR1 O14842 1/20 0.36

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
Ammonia Solution, Strong SCHEMBL21835777 0.99 KDM4E (0.48) KDM4EMEN1ALDH1A1POLBTSHR
SCHEMBL2529611 0.81 MT-CO2 (0.42) KDM4EPAX8NPC1RAB9A
SCHEMBL5604575 0.80 PAX8 (0.43) KMT2AGABRA1GABRG2GABRB3GABRA5
SCHEMBL6753838 0.78 KDM4E (0.42) KDM4EMEN1ALDH1A1POLBTSHR
SCHEMBL20163072 0.77 GPR119 (0.45) GPR119SLC6A4SLC6A3PAX8
SCHEMBL2354804 0.76 L3MBTL1 (0.43) MEN1ALDH1A1TSHRKMT2ACYP2C9
SCHEMBL14967250 0.76 KMT2A (0.55) KDM4EMEN1ALDH1A1POLBTSHR
SCHEMBL977449 0.75 ALDH1A1 (0.42) KDM4EMEN1ALDH1A1TSHRKMT2A
SCHEMBL3410365 0.75 MT-CO2 (0.39) ALDH1A1TSHRKMT2AGPR119PAX8
SCHEMBL20163106 0.74 MAPT (0.43) GPR119PAX8SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858919-B2 HDAC1,2 inhibitors REGENACY PHARMACEUTICALS, INC. (US) 2024-01-02 US disclosed
US-11542242-B2 Substituted piperazines as selective HDAC1,2 inhibitors REGENACY PHARMACEUTICALS, LLC (US) 2023-01-03 US disclosed
US-20220281833-A1 SUBSTITUTED PIPERAZINES AS SELECTIVE HDAC1,2 INHIBITORS REGENACY PHARMACEUTICALS, LLC 2022-09-08 US disclosed
US-20220033388-A1 HDAC1,2 Inhibitors REGENACY PHARMACEUTICALS, LLC 2022-02-03 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 (9 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 KDM4E 634/4885MEN1 4672/4885ALDH1A1 849/4885
US-11542242-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 KDM4E 227/4885MEN1 4699/4885ALDH1A1 684/4885
US-20180141923-A1 SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 KDM4E 514/4885MEN1 4086/4885ALDH1A1 1155/4885
US-20220281833-A1 SUBSTITUTED PIPERAZINES AS SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 KDM4E 532/4885MEN1 4549/4885ALDH1A1 985/4885
US-10774056-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 KDM4E 428/4885MEN1 4630/4885ALDH1A1 922/4885
US-11858919-B2 HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 KDM4E 830/4885MEN1 4033/4885ALDH1A1 1003/4885
US-20220033388-A1 HDAC1,2 Inhibitors HDAC1, HDAC2, HDAC11 KDM4E 830/4885MEN1 4033/4885ALDH1A1 1003/4885
US-20200377465-A1 SUBSTITUTED PIPERAZINES AS SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 KDM4E 532/4885MEN1 4549/4885ALDH1A1 985/4885
US-20190330169-A1 SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 KDM4E 514/4885MEN1 4086/4885ALDH1A1 1155/4885

“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.