SCHEMBL16661324

SCHEMBL16661324

CCOc1n[nH]c(-c2ccc(Br)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 1/20 0.47
▸ NR1H2 P55055 1/20 0.47
▸ NR1H3 Q13133 1/20 0.47
▸ TP53 P04637 6/20 0.46
▸ RAB9A P51151 6/20 0.46
▸ NPC1 O15118 5/20 0.46
▸ HSD17B10 Q99714 3/20 0.46
▸ GAA P10253 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ S1PR1 P21453 1/20 0.44
▸ MAPT P10636 5/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ SMN1; SMN2 Q16637 7/20 0.40
▸ HTT P42858 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ HPGD P15428 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39

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
SCHEMBL16660857 0.77 NR1H2 (0.47) DGAT1NR1H2NR1H3TP53RAB9A
SCHEMBL8729070 0.72 ALPL (0.67) DGAT1NR1H2NR1H3TP53RAB9A
SCHEMBL16661352 0.71 DGAT1 (0.55) DGAT1TP53RAB9ANPC1HSD17B10
SCHEMBL16661175 0.70 DGAT1 (0.57) DGAT1TP53RAB9ANPC1HSD17B10
SCHEMBL16661159 0.69 SIRT2 (0.39) TP53RAB9AHSD17B10GAAMAPT
SCHEMBL16661193 0.68 DCUN1D1 (0.69) DGAT1NR1H2NR1H3TP53RAB9A
SCHEMBL3263304 0.68 IKBKB (0.41) NR1H2NR1H3TP53RAB9ANPC1
SCHEMBL3264005 0.66 SMN1; SMN2 (0.38) TP53RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL7999024 0.66 ALPL (0.53) DGAT1NR1H2NR1H3RAB9ANPC1
SCHEMBL6610130 0.65 NQO1 (0.64) TP53RAB9ANPC1HSD17B10GAA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2862856-B1 IMIDAZOLE AND TRIAZOLE COMPOUNDS AS DGAT-1 INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2018-08-01 — — EP disclosed
US-20170050950-A1 AROMATIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-02-23 — — US disclosed
US-20170050950-A1 AROMATIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-02-23 — — US disclosed
US-9546155-B2 Aromatic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-01-17 — — US disclosed
US-9546155-B2 Aromatic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-01-17 — — US disclosed
US-20150158844-A1 AROMATIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-06-11 — — US disclosed
US-20150158844-A1 AROMATIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-06-11 — — US disclosed
EP-2862856-A1 AROMATIC HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2015-04-22 — — 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 (2 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-20150158844-A1 AROMATIC HETEROCYCLIC COMPOUND GPR119, NR0B1, BET1 DGAT1 1688/4885NR1H2 75/4885NR1H3 138/4885
US-20170050950-A1 AROMATIC HETEROCYCLIC COMPOUND GPR119, NR0B1, BET1 DGAT1 1688/4885NR1H2 75/4885NR1H3 138/4885

“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.

Send feedback