SCHEMBL4701680

SCHEMBL4701680

CC(c1ccccc1[N+](=O)[O-])N1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
GAA P10253 1/20 0.56
MAPT P10636 3/20 0.50
PKM P14618 1/20 0.50
CYP1A2 P05177 3/20 0.46
CYP2C9 P11712 1/20 0.46
CTSB P07858 1/20 0.46
CYP2C19 P33261 2/20 0.44
CYP2D6 P10635 1/20 0.44
KMT2A Q03164 5/20 0.42
POLB P06746 1/20 0.42
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 4/20 0.41
CASP6 P55212 1/20 0.41
MAPK1 P28482 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL10857836 0.83 KMT2A (0.51) ALDH1A1MAPTKMT2AATMTDP1
SCHEMBL5845492 0.82 ALDH1A1 (0.44) ALDH1A1GAAMAPTPKMCYP1A2
SCHEMBL16272266 0.81 MAPT (0.49) ALDH1A1GAAMAPTPKMCYP1A2
SCHEMBL7883099 0.77 ALDH1A1 (0.48) ALDH1A1GAAMAPTPKMCYP1A2
SCHEMBL6533994 0.75 AAK1 (0.52) ALDH1A1GAAMAPTCYP1A2KMT2A
SCHEMBL20590966 0.75 KMT2A (0.46) ALDH1A1GAAMAPTPKMKMT2A
SCHEMBL12248160 0.74 KCNA5 (0.46) ALDH1A1CYP2C19CYP2D6CYP3A4TSHR
SCHEMBL27985416 0.74 MAPT (0.58) ALDH1A1GAAMAPTPKMCYP1A2
SCHEMBL4105367 0.73 DPP4 (0.62) ALDH1A1CYP2C19POLBSMN1; SMN2CYP3A4
SCHEMBL7745378 0.73 DPP4 (0.46) ALDH1A1MAPTCYP2C19CYP2D6KMT2A

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-109641897-B Bcl-2 selective inhibitors, their preparation and use 北京赛林泰医药技术有限公司 2021-12-07 CN disclosed
CN-109293656-A Bcl-2 selective depressant and its preparation and use 北京赛林泰医药技术有限公司 2019-02-01 CN disclosed
EP-1436272-B1 BIPHENYLCARBOXYLIC AMIDE DERIVATIVES AS P38 KINASE INHIBITORS GLAXO GROUP LTD (GB) 2008-05-07 EP disclosed
US-7309800-B2 Biphenylcarboxylic amide derivatives as p38 kinase inhibitors GLAXO GROUP LIMITED (GB) 2007-12-18 US disclosed
US-20070105860-A1 Biphenylcarboxylic Amide Derivatives as p38 Kinase Inhibitors GLAXO GROUP LIMITED 2007-05-10 US disclosed
US-7151118-B2 Biphenylcarboxylic amide derivatives as p38-kinase inhibitors GLAXO GROUP LIMITED (GB) 2006-12-19 US disclosed
US-20050020540-A1 Biphenylcarboxylic amide derivatives as p38-kinase inhibitors GLAXO GROUP LIMITED (GB) 2005-01-27 US disclosed
EP-1436272-A1 BIPHENYLCARBOXYLIC AMIDE DERIVATIVES AS P38 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-07-14 EP disclosed
WO-2003033483-A1 BIPHENYLCARBOXYLIC AMIDE DERIVATIVES AS P38 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2003-04-24 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 (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-20070105860-A1 Biphenylcarboxylic Amide Derivatives as p38 Kinase Inhibitors MAPK1, MAPKAPK2, MAPK3 ALDH1A1 880/4885GAA 2889/4885MAPT 919/4885
US-20050020540-A1 Biphenylcarboxylic amide derivatives as p38-kinase inhibitors MAPK1, MAPKAPK2, MAP3K1 ALDH1A1 1005/4885GAA 3296/4885MAPT 1272/4885

“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.