SCHEMBL4100810

SCHEMBL4100810

COC(=O)c1c([N+](=O)[O-])cnn1Cc1ccc(OC)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 1/20 0.49
NPBWR1 P48145 4/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 1/20 0.45
DCTPP1 Q9H773 1/20 0.45
KMT2A Q03164 1/20 0.44
NPC1 O15118 2/20 0.43
MCHR1 Q99705 1/20 0.43
PTPN1 P18031 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TXNRD1 Q16881 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL4096910 0.90 ALDH1A1 (0.46) UCHL1NPBWR1ALDH1A1HPGDL3MBTL1
SCHEMBL17458864 0.88 LMNA (0.47) ALDH1A1L3MBTL1SMN1; SMN2KMT2ARAB9A
SCHEMBL14052805 0.88 GAA (0.55) ALDH1A1SMN1; SMN2TDP1GAA
SCHEMBL17459012 0.85 CYP11B1 (0.51) ALDH1A1HPGDSMN1; SMN2MAPTKMT2A
SCHEMBL14801244 0.82 NPBWR1 (0.53) NPBWR1SMN1; SMN2MAPTDCTPP1NPC1
SCHEMBL17458955 0.82 DCTPP1 (0.51) UCHL1NPBWR1SMN1; SMN2MAPTDCTPP1
SCHEMBL16252258 0.82 UCHL1 (0.56) UCHL1NPBWR1ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL14810739 0.82 UCHL1 (0.53) UCHL1NPBWR1ALDH1A1L3MBTL1KMT2A
SCHEMBL21518861 0.81 UCHL1 (0.50) UCHL1NPBWR1ALDH1A1L3MBTL1KMT2A
SCHEMBL5428399 0.81 UCHL1 (0.52) UCHL1NPBWR1ALDH1A1HPGDL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107226807-B Tankyrase inhibitors 北京四环制药有限公司 2021-01-01 CN disclosed
CN-107286169-B Tankyrase inhibitors 北京四环制药有限公司 2020-11-24 CN disclosed
CN-107286169-A Tankyrase inhibitor 山东轩竹医药科技有限公司 2017-10-24 CN disclosed
CN-107226807-A Tankyrase inhibitor 山东轩竹医药科技有限公司 2017-10-03 CN disclosed
US-20090234117-A1 Pyrazolopyrimidine Derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-09-17 US disclosed
US-20070105890-A1 Novel condensed imidazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD 2007-05-10 US disclosed
US-20070105890-A1 Novel condensed imidazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD 2007-05-10 US disclosed
US-20070105890-A1 Novel condensed imidazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD 2007-05-10 US disclosed
EP-1690863-A1 NOVEL CONDENSED IMIDAZOLE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-08-16 EP 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 (2 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-20070105890-A1 Novel condensed imidazole derivative DPP4, DPP7, DPP3 UCHL1 647/4885NPBWR1 1922/4885ALDH1A1 63/4885
US-20090234117-A1 Pyrazolopyrimidine Derivative MC2R, CRHR1, AVPR2 UCHL1 4794/4885NPBWR1 128/4885ALDH1A1 1328/4885

“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.