SCHEMBL19128692

SCHEMBL19128692

CC(C)(C)OC(=O)N1CCC(Cn2cc3cc([N+](=O)[O-])ccc3n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
GPR119 Q8TDV5 10/20 0.42
BACE1 P56817 1/20 0.41
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
MET P08581 1/20 0.40
CHEK2 O96017 2/20 0.40
KCNH2 Q12809 1/20 0.39
TGFBR1 P36897 1/20 0.38

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
SCHEMBL19128878 0.85 RHOA (0.43) ALDH1A1LMNAMAPT
SCHEMBL27988389 0.82 KDM4E (0.51) GPR119BACE1KDM4EPKM
SCHEMBL20364206 0.81 MAPT (0.43) ALDH1A1LMNAMAPT
SCHEMBL19127895 0.79 ALDH1A1 (0.47) ALDH1A1LMNAMAPTGPR119BACE1
SCHEMBL25239760 0.79 ALDH1A1 (0.48) ALDH1A1LMNAMAPTGPR119BACE1
SCHEMBL3507796 0.79 ALDH1A1 (0.49) ALDH1A1LMNAMAPTGPR119BACE1
SCHEMBL26151149 0.79 FPR2 (0.47) ALDH1A1GPR119BACE1KDM4EPKM
SCHEMBL17458879 0.78 GPR119 (0.44) ALDH1A1LMNAMAPTGPR119BACE1
SCHEMBL16227930 0.78 FPR2 (0.41) ALDH1A1LMNAGPR119BACE1KDM4E
SCHEMBL3352407 0.76 MAPT (0.50) ALDH1A1LMNAMAPTGPR119KCNH2

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 10 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
US-20170233401-A1 SUBSTITUTED THIOHYDANTOIN DERIVATIVES AS ANDROGEN RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2017-08-17 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
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 ALDH1A1 350/4885LMNA 4294/4885MAPT 3804/4885
US-20180298021-A1 Substituted Thiohydantoin Derivatives As Androgen Receptor Antagonists AR, SHBG, NR5A1 ALDH1A1 350/4885LMNA 4294/4885MAPT 3804/4885
US-20170233401-A1 SUBSTITUTED THIOHYDANTOIN DERIVATIVES AS ANDROGEN RECEPTOR ANTAGONISTS AR, SHBG, NR5A1 ALDH1A1 350/4885LMNA 4294/4885MAPT 3804/4885
US-10000502-B2 Substituted thiohydantoin derivatives as androgen receptor antagonists AR, SHBG, NR5A1 ALDH1A1 350/4885LMNA 4294/4885MAPT 3804/4885
US-20200109150-A1 Substituted Thiohydantoin Derivatives As Androgen Receptor Antagonists AR, SHBG, NR5A1 ALDH1A1 350/4885LMNA 4294/4885MAPT 3804/4885

“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.