SCHEMBL9953059

SCHEMBL9953059

CC(C)(C)OC(=O)N1C2C=C(c3ccc([N+](=O)[O-])cc3)CC1CC2

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.39
HSD11B1 P28845 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
JAK1 P23458 1/20 0.38
GPR119 Q8TDV5 3/20 0.37
SLC6A3 Q01959 2/20 0.36
BCL2 P10415 1/20 0.35
BECN1 Q14457 1/20 0.35
WDR5 P61964 1/20 0.35
PREP P48147 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 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
SCHEMBL24794753 0.84 GPR119 (0.37) MAPTALDH1A1LMNAHSD11B1CHRM2
SCHEMBL29709695 0.84 GPR119 (0.37) MAPTALDH1A1LMNAHSD11B1CHRM2
SCHEMBL22471536 0.84 CHRM2 (0.42) MAPTALDH1A1HSD11B1CHRM2CHRM1
SCHEMBL28730740 0.84 CHRM2 (0.42) MAPTALDH1A1HSD11B1CHRM2CHRM1
SCHEMBL24223887 0.84 CHRM2 (0.42) MAPTALDH1A1HSD11B1CHRM2CHRM1
SCHEMBL17548160 0.84 KCNK3 (0.43) HSD11B1CHRM2CHRM1CHRM3WDR5
SCHEMBL3034148 0.83 SLC6A2 (0.46) HSD11B1CHRM2CHRM1CHRM3GPR119
SCHEMBL17197423 0.83 CHEK1 (0.39) MAPTALDH1A1LMNAPOLBHSD11B1
SCHEMBL15244232 0.83 KMT2A (0.42) MAPTALDH1A1LMNAJAK1WDR5
SCHEMBL2072369 0.81 GPR119 (0.43) HSD11B1CHRM2CHRM1CHRM3GPR119

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 28 patents — showing the first 20. 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
US-8975398-B2 NAMPT inhibitors ABBVIE INC. (US) 2015-03-10 US disclosed
WO-2013170115-A1 PYRIDAZINE AND PYRIDINE DERIVATIVES AS NAMPT INHIBITORS ABBVIE INC. (US) 2013-11-14 WO disclosed
US-20130303510-A1 NAMPT INHIBITORS ABBVIE INC. (US) 2013-11-14 US disclosed
US-20130303509-A1 NAMPT INHIBITORS ABBVIE INC. (US) 2013-11-14 US disclosed
EP-2655357-A1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS Merck Serono S.A. (CH) 2013-10-30 EP disclosed
US-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES MERCK SERONO S.A. - INTELLECTUAL PROPERTY (CH) 2013-10-17 US disclosed
US-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES MERCK SERONO S.A. - INTELLECTUAL PROPERTY (CH) 2013-10-17 US disclosed
US-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES MERCK SERONO S.A. - INTELLECTUAL PROPERTY (CH) 2013-10-17 US disclosed
WO-2012084704-A1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO S.A. (CH) 2012-06-28 WO disclosed
WO-2012084704-A1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO S.A. (CH) 2012-06-28 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 (8 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 MAPT 3804/4885ALDH1A1 350/4885LMNA 4294/4885
US-20180298021-A1 Substituted Thiohydantoin Derivatives As Androgen Receptor Antagonists AR, SHBG, NR5A1 MAPT 3804/4885ALDH1A1 350/4885LMNA 4294/4885
US-20170233401-A1 SUBSTITUTED THIOHYDANTOIN DERIVATIVES AS ANDROGEN RECEPTOR ANTAGONISTS AR, SHBG, NR5A1 MAPT 3804/4885ALDH1A1 350/4885LMNA 4294/4885
US-10000502-B2 Substituted thiohydantoin derivatives as androgen receptor antagonists AR, SHBG, NR5A1 MAPT 3804/4885ALDH1A1 350/4885LMNA 4294/4885
US-20130303510-A1 NAMPT INHIBITORS NAMPT, NNMT, NAPRT MAPT 582/4885ALDH1A1 1573/4885LMNA 711/4885
US-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES NFATC1, IL5, CD4 MAPT 2022/4885ALDH1A1 875/4885LMNA 4562/4885
US-20200109150-A1 Substituted Thiohydantoin Derivatives As Androgen Receptor Antagonists AR, SHBG, NR5A1 MAPT 3804/4885ALDH1A1 350/4885LMNA 4294/4885
US-20130303509-A1 NAMPT INHIBITORS NAMPT, NNMT, NAPRT MAPT 582/4885ALDH1A1 1573/4885LMNA 711/4885

“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.