SCHEMBL19128045

SCHEMBL19128045

Nc1ccc2c(cnn2CC2CCN(C(=O)O)CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC2 Q92769 1/20 0.48
▸ F2 P00734 1/20 0.46
▸ CHEK1 O14757 1/20 0.44
▸ AURKA O14965 1/20 0.44
▸ DAPK3 O43293 1/20 0.44
▸ CSNK1A1 P48729 1/20 0.44
▸ GSK3A P49840 1/20 0.44
▸ LIMK1 P53667 1/20 0.44
▸ IKBKE Q14164 1/20 0.44
▸ MAPK14 Q16539 1/20 0.44
▸ TAOK1 Q7L7X3 1/20 0.44
▸ CLK4 Q9HAZ1 1/20 0.44
▸ DYRK1B Q9Y463 1/20 0.44
▸ KMO O15229 1/20 0.38
▸ FASN P49327 2/20 0.36
▸ CRHR1 P34998 1/20 0.36
▸ HSP90AB1 P08238 1/20 0.36
▸ MCHR2 Q969V1 1/20 0.35
▸ MCHR1 Q99705 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
SCHEMBL27083872 0.85 HDAC1 (0.51) HDAC1HDAC2F2CHEK1AURKA
SCHEMBL19127885 0.84 GPR119 (0.48) HDAC1HDAC2CHEK1AURKADAPK3
SCHEMBL20325546 0.82 HDAC1 (0.47) HDAC1HDAC2CHEK1AURKADAPK3
SCHEMBL19128439 0.82 GLS (0.53) HDAC1HDAC2F2LMNA
SCHEMBL15712764 0.81 PKM (0.48) HDAC1HDAC2CHEK1AURKADAPK3
SCHEMBL12274589 0.79 MAPK14 (0.47) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL31251090 0.79 HDAC2 (0.44) HDAC1HDAC2CHEK1AURKADAPK3
SCHEMBL19128941 0.75 HDAC1 (0.38) HDAC1HDAC2F2FASNMCHR2
SCHEMBL3387257 0.74 BRD4 (0.48) HDAC1HDAC2KMOCRHR1BRD4
SCHEMBL16083174 0.74 HDAC1 (0.60) HDAC1HDAC2F2KMOCRHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10981926-B2 Substituted thiohydantoin derivatives as androgen receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2021-04-20 — — US disclosed
US-20200109150-A1 Substituted Thiohydantoin Derivatives As Androgen Receptor Antagonists JANSSEN PHARMACEUTICA NV (BE) 2020-04-09 — — US disclosed
EP-3402791-A1 SUBSTITUTED THIOHYDANTOIN DERIVATIVES AS ANDROGEN RECEPTOR ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2018-11-21 — — EP disclosed
US-20180298021-A1 Substituted Thiohydantoin Derivatives As Androgen Receptor Antagonists JANSSEN PHARMACEUTICA NV (BE) 2018-10-18 — — US disclosed
US-10000502-B2 Substituted thiohydantoin derivatives as androgen receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2018-06-19 — — US disclosed
US-20170233401-A1 SUBSTITUTED THIOHYDANTOIN DERIVATIVES AS ANDROGEN RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2017-08-17 — — US disclosed
WO-2017123542-A1 SUBSTITUTED THIOHYDANTOIN DERIVATIVES AS ANDROGEN RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2017-07-20 — — 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 (5 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-10981926-B2 Substituted thiohydantoin derivatives as androgen receptor antagonists AR, SHBG, NR5A1 HDAC1 229/4885HDAC2 552/4885F2 2782/4885
US-20180298021-A1 Substituted Thiohydantoin Derivatives As Androgen Receptor Antagonists AR, SHBG, NR5A1 HDAC1 229/4885HDAC2 552/4885F2 2782/4885
US-20170233401-A1 SUBSTITUTED THIOHYDANTOIN DERIVATIVES AS ANDROGEN RECEPTOR ANTAGONISTS AR, SHBG, NR5A1 HDAC1 229/4885HDAC2 552/4885F2 2782/4885
US-10000502-B2 Substituted thiohydantoin derivatives as androgen receptor antagonists AR, SHBG, NR5A1 HDAC1 229/4885HDAC2 552/4885F2 2782/4885
US-20200109150-A1 Substituted Thiohydantoin Derivatives As Androgen Receptor Antagonists AR, SHBG, NR5A1 HDAC1 229/4885HDAC2 552/4885F2 2782/4885

“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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