SCHEMBL17907327

SCHEMBL17907327

CCc1cc(Br)ccc1NC(=O)NCCCl

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
MAPK1 P28482 2/20 0.47
POLB P06746 2/20 0.47
HTT P42858 3/20 0.46
LMNA P02545 1/20 0.46
EGFR P00533 1/20 0.42
ERBB2 P04626 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
ALOX15 P16050 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.40
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPN6 P29350 1/20 0.38

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
SCHEMBL6690067 0.84 ALDH1A1 (0.49) ALDH1A1CYP1A2CYP2C19POLBLMNA
SCHEMBL8415420 0.84 MAPT (0.53) ALDH1A1CYP1A2CYP2C19HTTLMNA
SCHEMBL30931132 0.82 HTT (0.66) ALDH1A1CYP1A2CYP2C19MAPK1POLB
SCHEMBL16531966 0.82 HTT (0.66) ALDH1A1CYP1A2CYP2C19MAPK1POLB
SCHEMBL8415405 0.81 LMNA (0.57) ALDH1A1CYP1A2CYP2C19POLBHTT
SCHEMBL11720954 0.80 MAPK1 (0.44) ALDH1A1MAPK1POLBHTTLMNA
SCHEMBL6385943 0.79 POLB (0.72) ALDH1A1CYP1A2CYP2C19POLBHTT
SCHEMBL8416977 0.79 HTT (0.45) ALDH1A1CYP1A2CYP2C19MAPK1POLB
SCHEMBL12479615 0.78 MAPK1 (0.56) ALDH1A1CYP1A2CYP2C19MAPK1POLB
SCHEMBL11414234 0.77 MAPK1 (0.47) ALDH1A1MAPK1POLBHTTLMNA

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 7 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-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
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 ALDH1A1 1707/4885CYP1A2 3066/4885CYP2C19 2583/4885

“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.