SCHEMBL17907367

SCHEMBL17907367

Cc1cc(Br)cc(C)c1-c1cccc(N)c1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD44 P16070 1/20 0.47
CYP3A4 P08684 5/20 0.37
TSHR P16473 4/20 0.37
PIK3CA P42336 1/20 0.37
DPP4 P27487 1/20 0.37
TDP1 Q9NUW8 3/20 0.34
ALDH1A1 P00352 4/20 0.33
MAPK1 P28482 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1A2 P05177 1/20 0.33
MYC P01106 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
ADORA2A P29274 2/20 0.33
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 2/20 0.33
CASP3 P42574 1/20 0.33

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
SCHEMBL30485469 0.74 HKDC1 (0.36) CD44CYP3A4TSHRTDP1ALDH1A1
SCHEMBL22855607 0.74 HKDC1 (0.36) CD44CYP3A4TSHRTDP1ALDH1A1
SCHEMBL16219593 0.74 RAPGEF4 (0.40) CD44CYP3A4TSHRTDP1ALDH1A1
SCHEMBL29905105 0.74 ALDH1A1 (0.42) CD44CYP3A4TSHRPIK3CATDP1
SCHEMBL8361077 0.70 CD44 (0.52) CD44CYP3A4TSHRPIK3CADPP4
SCHEMBL30713683 0.70 POLB (0.37) CD44ALDH1A1L3MBTL1CYP1A2ADORA2A
SCHEMBL27083670 0.70 POLB (0.37) CD44ALDH1A1L3MBTL1CYP1A2ADORA2A
SCHEMBL3790040 0.70 CD44 (0.62) CD44CYP3A4TSHRPIK3CADPP4
SCHEMBL29414659 0.70 CD44 (0.62) CD44CYP3A4TSHRPIK3CADPP4
SCHEMBL3794848 0.70 CD44 (0.62) CD44CYP3A4TSHRPIK3CADPP4

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 4 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-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

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 CD44 4812/4885CYP3A4 3867/4885TSHR 2794/4885

“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.