SCHEMBL17907309

SCHEMBL17907309

CC(=NN)c1cc(Br)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.42
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH2 P05091 1/20 0.36
ALDH1A3 P47895 1/20 0.36
CCR5 P51681 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
NOS1 P29475 2/20 0.34
PLAU P00749 1/20 0.34
SLC6A4 P31645 1/20 0.33
MAP2K2 P36507 1/20 0.33
MAP2K1 Q02750 1/20 0.33
CES2 O00748 1/20 0.33
GALR3 O60755 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
SCHEMBL16532097 1.00 DGAT1 (0.42) DGAT1MEN1KMT2AALDH2ALDH1A3
SCHEMBL806086 0.85 DGAT1 (0.55) DGAT1MEN1KMT2ANOS1SLC6A4
SCHEMBL14985487 0.83 ALDH2 (0.50) DGAT1MEN1KMT2AALDH2ALDH1A3
SCHEMBL18509639 0.81 DGAT1 (0.38) DGAT1KMT2AALDH2ALDH1A3CCR5
SCHEMBL24630023 0.79 NFE2L2 (0.36) MEN1KMT2AGLAMAP2K2MAP2K1
SCHEMBL18509638 0.79 DGAT1 (0.36) DGAT1MEN1KMT2AALDH2ALDH1A3
SCHEMBL16960361 0.78 DGAT1 (0.44) DGAT1KMT2AKDM4EGLACES2
SCHEMBL21317684 0.77 ALDH2 (0.39) DGAT1KMT2AALDH2ALDH1A3CTDSP1
SCHEMBL16006850 0.76 DGAT1 (0.34) DGAT1KMT2AALDH2ALDH1A3CCR5
SCHEMBL21847812 0.76 DGAT1 (0.35) DGAT1ALDH2ALDH1A3CTDSP1

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 DGAT1 1/4885MEN1 2511/4885KMT2A 663/4885

“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.