SCHEMBL273831

SCHEMBL273831

O=C(CBr)c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSV O60911 4/20 0.56
CTSL P07711 4/20 0.56
ABCB1 P08183 1/20 0.54
MAPT P10636 3/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
POLB P06746 1/20 0.51
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 2/20 0.47
GAA P10253 1/20 0.46
LMNA P02545 1/20 0.46
PRSS1 P07477 1/20 0.45

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
SCHEMBL29935714 1.00 CTSV (0.56) CTSVCTSLABCB1MAPTMEN1
SCHEMBL21775128 0.88 SMN1; SMN2 (0.65) CTSVCTSLABCB1MAPTMEN1
SCHEMBL4593234 0.88 CTSV (0.56) CTSVCTSLABCB1MAPTMEN1
SCHEMBL750245 0.87 CTSV (0.63) CTSVCTSLABCB1MAPTMEN1
SCHEMBL31582278 0.85 ABCB1 (0.57) CTSVCTSLABCB1MAPTMEN1
SCHEMBL1446822 0.85 PTGES (0.48) CTSVCTSLABCB1MAPTMEN1
SCHEMBL965943 0.85 ALDH1A1 (0.63) CTSVCTSLABCB1MAPTMEN1
SCHEMBL750963 0.85 CTSV (0.58) CTSVCTSLABCB1MAPTMEN1
SCHEMBL16004968 0.85 ABCB1 (0.59) CTSVCTSLABCB1MAPTMEN1
SCHEMBL9658186 0.85 CTSV (0.58) CTSVCTSLABCB1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115873909-B Preparation method of arformoterol chiral intermediate 天津法莫西生物医药科技有限公司 2023-08-11 CN claimed
CN-115873909-A Preparation method of arformoterol chiral intermediate 天津法莫西生物医药科技有限公司 2023-03-31 CN claimed
CN-115093329-A Preparation method of 1- (4- (benzyloxy) -3-nitrophenyl) -2-bromoethanone 汉瑞药业(荆门)有限公司 2022-09-23 CN claimed
CN-112279776-B Method for synthesizing arformoterol free alkali 扬州中宝药业股份有限公司 2022-09-02 CN claimed
CN-108358791-A A kind of preparation method of 3- nitros -4- benzyloxy -2- bromoacetophenones 南京法恩化学有限公司 2018-08-03 CN claimed
EP-0938467-B1 PROCESS FOR THE PREPARATION OF OPTICALLY PURE ISOMERS OF FORMOTEROL SEPRACOR INC (US) 2002-06-12 EP claimed
US-6268533-B1 REACTING 4-BENZYLOXY-3-FORMAMIDOSTYRENE OXIDE WITH AN OPTICALLY PURE 4-METHOXY-.ALPHA.-METHYL-N-(PHENYLMETHYL)BENZENEETHANAMINE FOLLOWED BY REDUCTION TO PRODUCE FORMOTEROL SEPRACOR INC. 2001-07-31 US claimed
EP-0938467-A1 PROCESS FOR THE PREPARATION OF OPTICALLY PURE ISOMERS OF FORMOTEROL SEPRACOR, INC. (US) 1999-09-01 EP claimed
WO-1998021175-A1 PROCESS FOR THE PREPARATION OF OPTICALLY PURE ISOMERS OF FORMOTEROL SEPRACOR, INC. (US) 1998-05-22 WO claimed
US-20230286970-A1 NOVEL OXADIAZOLE-BASED SELECTIVE HDAC6 INHIBITORS ITALFARMACO SPA (IT) 2023-09-14 US disclosed
CN-115873909-B Preparation method of arformoterol chiral intermediate 天津法莫西生物医药科技有限公司 2023-08-11 CN disclosed
CN-115873909-B Preparation method of arformoterol chiral intermediate 天津法莫西生物医药科技有限公司 2023-08-11 CN disclosed
EP-4192830-A1 2-(4-((5-(BENZO[B]THIOPHEN-3-YL)-1H-TETRAZOL-1-YL)METHYL)PHENYL)-5-(DIFLUOROMETHYL)-1,3,4-OXADIAZOLE DERIVATIVES AND SIMILAR COMPOUNDS AS SELECTIVE INHIBITORS OF HISTONE DEACETYLASE 6 (HDAC6) FOR USE IN TREATING E.G. PERIPHERAL NEUROPATHY Italfarmaco SpA (IT) 2023-06-14 EP disclosed
CN-113801005-B Preparation method of alpha-bromoacetophenone compound 浙江师范大学 2023-06-13 CN disclosed
US-4654371-A ANTI-OBESITY, HYPOGLYCEMIA AGENTS BEECHAM GROUP P.L.C. (GB) 1987-03-31 US disclosed
US-4478849-A HYPERGLYCEMIC AGENTS BEECHAM GROUP LIMITED (GB) 1984-10-23 US disclosed
EP-0006735-B1 SECONDARY AMINES, THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE BEECHAM GROUP PLC (GB) 1983-06-15 EP disclosed
EP-0006735-A1 Secondary amines, their preparation, pharmaceutical compositions containing them and their use BEECHAM GROUP PLC (GB) 1980-01-09 EP disclosed
US-3994974-A BRONCHODILATORS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JA) 1976-11-30 US disclosed
US-3933913-A N,N'-bis[3-substituted-4-hydroxypheyl)-2-hydroxyethyl)]-polymethylenediamines SMITHKLINE CORPORATION (US) 1976-01-20 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 (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-20230286970-A1 NOVEL OXADIAZOLE-BASED SELECTIVE HDAC6 INHIBITORS HDAC6, HDAC1, HDAC3 CTSV 3155/4885CTSL 4283/4885ABCB1 2390/4885

“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.