SCHEMBL16531986

SCHEMBL16531986

Cc1cc(Br)cc(C)c1Nc1ccccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 0.53
ALDH1A1 P00352 3/20 0.53
TDP1 Q9NUW8 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
CASP7 P55210 1/20 0.53
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
MAPT P10636 5/20 0.51
RAB9A P51151 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
GAA P10253 2/20 0.48
PKM P14618 1/20 0.48
HSD17B10 Q99714 1/20 0.47
MAPK13 O15264 1/20 0.45
MAPK12 P53778 1/20 0.45
MAPK11 Q15759 1/20 0.45
MAPK14 Q16539 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL5388300 0.88 MAPK1 (0.57) MAPK1ALDH1A1TDP1L3MBTL1CASP7
SCHEMBL6392737 0.84 MAPK1 (0.59) MAPK1ALDH1A1TDP1L3MBTL1CASP7
SCHEMBL6565464 0.84 ALDH1A1 (0.51) MAPK1ALDH1A1TDP1L3MBTL1CASP7
SCHEMBL26095886 0.81 MAPK1 (0.49) MAPK1ALDH1A1TDP1L3MBTL1CASP7
SCHEMBL30677987 0.78 MAPK1 (0.64) MAPK1ALDH1A1TDP1L3MBTL1CASP7
SCHEMBL22188151 0.78 MAPK1 (0.64) MAPK1ALDH1A1TDP1L3MBTL1CASP7
SCHEMBL4055339 0.77 MAPK1 (0.62) MAPK1ALDH1A1TDP1L3MBTL1CASP7
SCHEMBL9995265 0.77 MEN1 (0.61) MAPK1ALDH1A1TDP1L3MBTL1CASP7
SCHEMBL397773 0.76 MAPK1 (0.77) MAPK1ALDH1A1TDP1L3MBTL1CASP7
SCHEMBL27083668 0.76 EPAS1 (0.62) MAPK1ALDH1A1TDP1L3MBTL1CASP7

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
EP-3042907-B1 DGAT1 INHIBITOR AND PREPARATION METHOD AND USE THEREOF QUINGDAO HUANGHAI PHARMACEUTICAL CO LTD (CN) 2021-01-13 EP disclosed
US-9809604-B2 DGAT1 inhibitor and preparation method and use thereof QINGDAO HUANGHAI PHARMACEUTICAL CO., LTD. (CN) 2017-11-07 US disclosed
US-9809604-B2 DGAT1 inhibitor and preparation method and use thereof QINGDAO HUANGHAI PHARMACEUTICAL CO., LTD. (CN) 2017-11-07 US disclosed
US-9809604-B2 DGAT1 inhibitor and preparation method and use thereof QINGDAO HUANGHAI PHARMACEUTICAL CO., LTD. (CN) 2017-11-07 US disclosed
US-20160272651-A1 DGAT1 Inhibitor and Preparation Method and Use Thereof QINGDAO HUANGHAI PHARMACEUTICAL CO., LTD. (CN) 2016-09-22 US disclosed
US-20160272651-A1 DGAT1 Inhibitor and Preparation Method and Use Thereof QINGDAO HUANGHAI PHARMACEUTICAL CO., LTD. (CN) 2016-09-22 US disclosed
US-20160272651-A1 DGAT1 Inhibitor and Preparation Method and Use Thereof QINGDAO HUANGHAI PHARMACEUTICAL CO., LTD. (CN) 2016-09-22 US disclosed
EP-3042907-A1 DGAT1 INHIBITOR AND PREPARATION METHOD AND USE THEREOF Medshine Discovery Inc. (CN) 2016-07-13 EP disclosed
WO-2015024486-A1 DGAT1 INHIBITOR AND PREPARATION METHOD AND USE THEREOF 南京明德新药研发股份有限公司 (CN) 2015-02-26 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 (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-20160272651-A1 DGAT1 Inhibitor and Preparation Method and Use Thereof DGAT1, DGAT2, LCAT MAPK1 877/4885ALDH1A1 1707/4885TDP1 3229/4885

“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.