SCHEMBL6465643

SCHEMBL6465643

O=C(NF)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.61
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
POLB P06746 2/20 0.61
CA1 P00915 2/20 0.59
CA2 P00918 2/20 0.59
TDP1 Q9NUW8 1/20 0.59
ALDH1A1 P00352 2/20 0.57
TSHR P16473 1/20 0.57
MAPK1 P28482 1/20 0.57
MAPT P10636 4/20 0.56
NPC1 O15118 2/20 0.54
MITF O75030 1/20 0.54
RAB9A P51151 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
CES2 O00748 1/20 0.53
SRD5A2 P31213 1/20 0.53
KDM4E B2RXH2 1/20 0.53
GAA P10253 1/20 0.53

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
SCHEMBL27815181 0.83 MAPT (0.67) CES1MEN1KMT2APOLBCA1
SCHEMBL28723007 0.83 MEN1 (0.82) CES1MEN1KMT2APOLBCA1
SCHEMBL296991 0.82 MEN1 (0.68) CES1MEN1KMT2APOLBCA1
SCHEMBL223451 0.80 MAPT (0.63) CES1MEN1KMT2APOLBCA1
SCHEMBL165760 0.80 TSHR (0.62) CES1MEN1KMT2APOLBCA1
SCHEMBL6973230 0.80 CES1 (0.61) CES1MEN1KMT2APOLBCA1
Potassium Ion SCHEMBL10903588 0.80 CES1 (0.61) CES1MEN1KMT2APOLBCA1
SCHEMBL9848997 0.80 ALDH1A1 (0.62) CES1MEN1KMT2APOLBCA1
SCHEMBL8866584 0.80 CES1 (0.61) CES1MEN1KMT2APOLBCA1
SCHEMBL23898948 0.78 KMT2A (0.83) MEN1KMT2APOLBALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104710367-A Method for synthesizing enzalutamide UNIV CHINA PHARMA 2015-06-17 CN claimed
CN-104003939-A Diaryl substituted glycolythiourea compounds as well as preparation method and application thereof UNIV SHANDONG 2014-08-27 CN claimed
CN-110003114-A Diarylhydantoin compounds 加利福尼亚大学董事会 2019-07-12 CN disclosed
CN-105037273-B Diarylhydantoin compounds 加利福尼亚大学董事会 2019-04-19 CN disclosed
CN-109422725-A Drugs for prostate cancer 北京美倍他药物研究有限公司 2019-03-05 CN disclosed
CN-105037273-A Diaryl hydantoin compound UNIV CALIFORNIA 2015-11-11 CN disclosed
CN-104710367-A Method for synthesizing enzalutamide UNIV CHINA PHARMA 2015-06-17 CN disclosed
CN-104341352-A Diaryl hydantoin compound as androgen receptor antagonist and applications of diaryl hydantoin compound NANJING HENGJIE BIOTECHNOLOGY CO LTD 2015-02-11 CN disclosed
CN-102755318-B Hyperproliferative disorders with diarylhydantoin compounds UNIV CALIFORNIA 2014-09-10 CN disclosed
CN-104003939-A Diaryl substituted glycolythiourea compounds as well as preparation method and application thereof UNIV SHANDONG 2014-08-27 CN disclosed
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 US 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 (1 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-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 CES1 2154/4885MEN1 734/4885KMT2A 693/4885

“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.