Sugi Predict

Sugi Predict / Compounds / SCHEMBL15718167

SCHEMBL15718167

SCHEMBL15718167

Nc1nnc(-c2ccc(Br)cc2)o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 1/20 1.00
▸ KDM4E B2RXH2 8/20 0.66
▸ NOTUM Q6P988 2/20 0.66
▸ NPC1 O15118 10/20 0.59
▸ RAB9A P51151 10/20 0.59
▸ ALDH1A1 P00352 4/20 0.55
▸ KMT2A Q03164 3/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ HSD17B10 Q99714 4/20 0.54
▸ TSHR P16473 4/20 0.53
▸ SMN1; SMN2 Q16637 4/20 0.53
▸ MAPT P10636 3/20 0.53
▸ HPGD P15428 3/20 0.53
▸ TP53 P04637 2/20 0.53
▸ LMNA P02545 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ BCHE P06276 1/20 0.47
▸ ACHE P22303 1/20 0.47

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
SCHEMBL9610048 0.84 DGAT1 (0.72) DGAT1KDM4ENPC1RAB9AALDH1A1
SCHEMBL2245998 0.84 DGAT1 (0.72) DGAT1KDM4ENPC1RAB9AALDH1A1
Bromide SCHEMBL5999620 0.82 DGAT1 (0.69) DGAT1KDM4ENPC1RAB9AALDH1A1
Bromide SCHEMBL5999618 0.82 DGAT1 (0.69) DGAT1KDM4ENPC1RAB9AALDH1A1
SCHEMBL12550898 0.79 KDM4E (0.66) DGAT1KDM4ENOTUMNPC1RAB9A
SCHEMBL20767009 0.79 NPC1 (0.72) DGAT1KDM4ENOTUMNPC1RAB9A
SCHEMBL10112953 0.79 KDM4E (0.66) DGAT1KDM4ENOTUMNPC1RAB9A
SCHEMBL1143348 0.79 KDM4E (1.00) DGAT1KDM4ENOTUMNPC1RAB9A
SCHEMBL6903361 0.79 KDM4E (1.00) DGAT1KDM4ENOTUMNPC1RAB9A
SCHEMBL2766462 0.78 PKM (0.74) DGAT1KDM4ENOTUMNPC1RAB9A

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4085769-B1 METHOD FOR IMPROVING AROMA OF CIGARETTE PRODUCT BY USING RASPBERRY KETONE GLUCOSIDE CHINA TOBACCO YUNNAN IND CO LTD (CN) 2023-09-20 — — EP disclosed
EP-4085769-A1 METHOD FOR IMPROVING AROMA OF CIGARETTE PRODUCT BY USING RASPBERRY KETONE GLUCOSIDE CHINA TOBACCO YUNNAN INDUSTRIAL CO., LTD (CN) 2022-11-09 — — EP disclosed
CN-109438433-B Myricetin derivative containing amide oxadiazole, preparation method and application thereof 贵州大学 2022-02-15 — — CN disclosed
CN-110627783-B Preparation method of Schiff base containing carbazolyl and oxadiazolyl or thiadiazolyl 陕西科技大学 2021-11-16 — — CN disclosed
CN-107216357-B Preparation method of Mannich base containing ferrocenyl oxadiazolyl 陕西科技大学 2020-02-21 — — CN disclosed
CN-110627783-A Preparation method of Schiff base containing carbazolyl and oxadiazolyl or thiadiazolyl 陕西科技大学 2019-12-31 — — CN disclosed
US-10308636-B2 Aromatic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-06-04 — — US disclosed
CN-109438433-A A kind of myricetin derivative, the preparation method and the usage of amide containing oxadiazoles 贵州大学 2019-03-08 — — CN disclosed
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-20150291598-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2015-10-15 — — US disclosed
US-20150291598-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2015-10-15 — — US disclosed
EP-2920177-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES Novartis AG (CH) 2015-09-23 — — EP 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
CN-103980222-A 2-amido-5-substituted-1,3,4-oxadiazole as well as preparation method and application thereof UNIV SHAANXI SCIENCE & TECH 2014-08-13 — — CN disclosed
WO-2014078813-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES IRM LLC (BM) 2014-05-22 — — WO disclosed
WO-2014078813-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES IRM LLC (BM) 2014-05-22 — — WO disclosed
US-20110195066-A1 QUINOLINE INHIBITORS OF TYROSINE KINASE AUSPEX PHARMACEUTICALS, INC. (US) 2011-08-11 — — US 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 (5 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 1688/4885KDM4E 1080/4885NOTUM 1785/4885
US-10308636-B2 Aromatic heterocyclic compound GPR119, NR0B1, BET1 DGAT1 1688/4885KDM4E 1080/4885NOTUM 1785/4885
US-20150291598-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES CYP11B2, CYP11B1, SLC10A1 DGAT1 1593/4885KDM4E 3176/4885NOTUM 2163/4885
US-20110195066-A1 QUINOLINE INHIBITORS OF TYROSINE KINASE ABL1, FLT3, BTK DGAT1 3570/4885KDM4E 1010/4885NOTUM 3745/4885
US-20170050950-A1 AROMATIC HETEROCYCLIC COMPOUND GPR119, NR0B1, BET1 DGAT1 1688/4885KDM4E 1080/4885NOTUM 1785/4885

“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.