SCHEMBL16532020

SCHEMBL16532020

Cc1cc(Br)cc(C)c1Nc1ccccc1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
GAA P10253 4/20 0.49
TDP1 Q9NUW8 2/20 0.49
KDM4E B2RXH2 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KDM1A O60341 1/20 0.45
IDO1 P14902 1/20 0.44
RAPGEF4 Q8WZA2 5/20 0.43
TP53 P04637 1/20 0.43
APP P05067 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
SNCA P37840 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
SCHEMBL5379255 0.85 RAPGEF4 (0.59) MAPTGAATDP1KDM4EMEN1
SCHEMBL29880193 0.85 RAPGEF4 (0.59) MAPTGAATDP1KDM4EMEN1
SCHEMBL20916302 0.81 MAPT (0.55) MAPTGAATDP1KDM4EMEN1
SCHEMBL6563685 0.81 MAPK13 (0.54) MAPTGAATDP1KDM4EMEN1
SCHEMBL26097092 0.78 MAPT (0.42) MAPTGAATDP1KDM4EMEN1
SCHEMBL28005209 0.75 MAPT (0.58) MAPTGAATDP1KDM4EMEN1
Aniline SCHEMBL26185521 0.73 MAPT (0.42) MAPTGAATDP1KDM4EMEN1
SCHEMBL22188161 0.73 GAA (0.57) MAPTGAATDP1KDM4EMEN1
SCHEMBL30677993 0.73 GAA (0.57) MAPTGAATDP1KDM4EMEN1
SCHEMBL4943542 0.72 MAPT (0.59) MAPTGAATDP1KDM4EMEN1

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 MAPT 1901/4885GAA 164/4885TDP1 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.