SCHEMBL20564438

SCHEMBL20564438

NC(=O)CC(=O)C1(c2ccc(Cl)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 1/20 0.50
▸ HSD11B1 P28845 10/20 0.49
▸ KDM4E B2RXH2 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ LMNA P02545 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ OPRM1 P35372 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40

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
SCHEMBL8506341 0.84 HDAC4 (0.51) HDAC4HSD11B1KDM4EGAAHTT
SCHEMBL5007609 0.80 HSD11B1 (0.53) HDAC4HSD11B1KDM4EGAAHTT
SCHEMBL4445340 0.80 HSD11B1 (0.53) HDAC4HSD11B1KDM4EGAAHTT
SCHEMBL15778834 0.80 SMN1; SMN2 (0.53) HDAC4HSD11B1KDM4EGAAHTT
SCHEMBL1975025 0.80 HSD11B1 (0.56) HDAC4HSD11B1KDM4EGAAHTT
SCHEMBL1769917 0.79 HSD11B1 (0.51) HDAC4HSD11B1KDM4EGAAHTT
SCHEMBL13545175 0.79 HSD11B1 (0.51) HDAC4HSD11B1KDM4EGAAHTT
SCHEMBL7767870 0.76 OPRM1 (0.54) HDAC4HSD11B1GAAALDH1A1SMN1; SMN2
SCHEMBL6499510 0.76 HDAC4 (0.58) HDAC4HSD11B1GAAALDH1A1SMN1; SMN2
SCHEMBL2321735 0.75 HSD11B1 (0.59) HDAC4HSD11B1KDM4EGAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11192893-B2 Pyrazoloquinazolinone antitumor agents THE ROCKEFELLER UNIVERSITY (US) 2021-12-07 — — US disclosed
US-11192893-B2 Pyrazoloquinazolinone antitumor agents THE ROCKEFELLER UNIVERSITY (US) 2021-12-07 — — US disclosed
US-20200148687-A1 PYRAZOLOQUINAZOLINONE ANTITUMOR AGENTS THE ROCKEFELLER UNIVERSITY (US) 2020-05-14 — — US disclosed
US-20200148687-A1 PYRAZOLOQUINAZOLINONE ANTITUMOR AGENTS THE ROCKEFELLER UNIVERSITY (US) 2020-05-14 — — US disclosed
EP-3624805-A1 PYRAZOLOQUINAZOLINONE ANTITUMOR AGENTS Kapoor, Tarun, M. (US) 2020-03-25 — — EP disclosed
WO-2018213712-A1 PYRAZOLOQUINAZOLINONE ANTITUMOR AGENTS KAPOOR TARUN M (US) 2018-11-22 — — 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 (2 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-20200148687-A1 PYRAZOLOQUINAZOLINONE ANTITUMOR AGENTS H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCCS, TPD52L2 HDAC4 1557/4885HSD11B1 1670/4885KDM4E 3179/4885
US-11192893-B2 Pyrazoloquinazolinone antitumor agents H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCCS, TPD52L2 HDAC4 1557/4885HSD11B1 1670/4885KDM4E 3179/4885

“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.

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