SCHEMBL6136613

SCHEMBL6136613

O=C(O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
EPHX2 P34913 1/20 0.47
POLB P06746 2/20 0.47
MAPT P10636 2/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
SRD5A1 P18405 1/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.44
SRD5A2 P31213 1/20 0.44
GAA P10253 1/20 0.44
MGLL Q99685 1/20 0.43
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL3575478 0.92 CYP1A2 (0.48) CYP1A2CYP2D6EPHX2POLBMAPT
SCHEMBL1863827 0.92 CYP1A2 (0.48) CYP1A2CYP2D6EPHX2POLBMAPT
SCHEMBL9014017 0.87 ALDH1A1 (0.55) CYP1A2CYP2D6EPHX2POLBMAPT
SCHEMBL28281613 0.85 GPR119 (0.46) CYP1A2CYP2D6EPHX2POLBMAPT
SCHEMBL23246848 0.84 POLB (0.48) CYP1A2CYP2D6EPHX2POLBMAPT
SCHEMBL2830265 0.84 CYP1A2 (0.52) CYP1A2CYP2D6POLBMAPTCYP2C9
SCHEMBL21814304 0.84 KMT2A (0.62) CYP1A2CYP2D6POLBMAPTKMT2A
SCHEMBL23246845 0.84 POLB (0.48) CYP1A2CYP2D6EPHX2POLBMAPT
SCHEMBL2481721 0.84 SLC6A2 (0.56) EPHX2MAPTALDH1A1MGLL
SCHEMBL21814287 0.83 KMT2A (0.64) CYP1A2CYP2D6EPHX2POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1602191-A Compounds and uses thereof for decreasing activity of hormone-sensitive lipase NOVO NORDISK AS (DK) 2005-03-30 CN claimed
US-20190337924-A1 SUBSTITUTED HYDANTOIN AND THIOHYDANTOIN DERIVATIVES AS ANDROGEN RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2019-11-07 US disclosed
US-20190330190-A1 SUBSTITUTED HYDANTOIN AND THIOHYDANTOIN DERIVATIVES AS ANDROGEN RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2019-10-31 US disclosed
US-20190241542-A1 SUBSTITUTED HYDANTOIN AND THIOHYDANTOIN DERIVATIVES AS ANDROGEN RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2019-08-08 US disclosed
US-20180009785-A1 SUBSTITUTED HYDANTOIN AND THIOHYDANTOIN DERIVATIVES AS ANDROGEN RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2018-01-11 US disclosed
CN-105829315-A Pyrimidopyrimidinones useful as Wee-1 kinase inhibitors 阿尔麦克探索有限公司 2016-08-03 CN disclosed
US-9266864-B2 VEGFR3 inhibitors CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2016-02-23 US disclosed
US-20150225377-A1 VEGFR3 INHIBITORS CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2015-08-13 US disclosed
US-20140080798-A1 VEGFR3 INHIBITORS CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2014-03-20 US disclosed
CN-103313968-A Nampt and rock inhibitors ABBVIE LAB 2013-09-18 CN disclosed
CN-1326519-C Compounds and uses thereof for decreasing activity of hormone-sensitive lipase NOVO NORDISK AS (DK) 2007-07-18 CN disclosed
EP-0991654-B1 NOVEL 2-(IMINOMETHYL)AMINO-PHENYL DERIVATIVES, PREPARATION, APPLICATION AS MEDICINES AND COMPOSITIONS CONTAINING SAME SOD CONSEILS RECH APPLIC (FR) 2005-06-15 EP disclosed
CN-1602191-A Compounds and uses thereof for decreasing activity of hormone-sensitive lipase NOVO NORDISK AS (DK) 2005-03-30 CN 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 (6 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-20190330190-A1 SUBSTITUTED HYDANTOIN AND THIOHYDANTOIN DERIVATIVES AS ANDROGEN RECEPTOR ANTAGONISTS AR, SHBG, LHCGR CYP1A2 285/4885CYP2D6 485/4885EPHX2 892/4885
US-20190241542-A1 SUBSTITUTED HYDANTOIN AND THIOHYDANTOIN DERIVATIVES AS ANDROGEN RECEPTOR ANTAGONISTS AR, SHBG, LHCGR CYP1A2 285/4885CYP2D6 485/4885EPHX2 892/4885
US-20150225377-A1 VEGFR3 INHIBITORS FLT4, FLT1, KDR CYP1A2 1838/4885CYP2D6 2324/4885EPHX2 2335/4885
US-20180009785-A1 SUBSTITUTED HYDANTOIN AND THIOHYDANTOIN DERIVATIVES AS ANDROGEN RECEPTOR ANTAGONISTS AR, SHBG, LHCGR CYP1A2 285/4885CYP2D6 485/4885EPHX2 892/4885
US-20140080798-A1 VEGFR3 INHIBITORS FLT4, FLT1, KDR CYP1A2 1327/4885CYP2D6 2426/4885EPHX2 2730/4885
US-20190337924-A1 SUBSTITUTED HYDANTOIN AND THIOHYDANTOIN DERIVATIVES AS ANDROGEN RECEPTOR ANTAGONISTS AR, SHBG, LHCGR CYP1A2 309/4885CYP2D6 523/4885EPHX2 1068/4885

“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.