SCHEMBL856751

SCHEMBL856751

CCC1(C(=O)CBr)Cc2ccccc2C1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.40
NPSR1 Q6W5P4 1/20 0.36
PTPN1 P18031 1/20 0.34
GSK3B P49841 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
ADRA1B P35368 1/20 0.34
CETP P11597 1/20 0.34
BRD4 O60885 1/20 0.33
MMP8 P22894 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NOTUM Q6P988 1/20 0.32
MMP1 P03956 1/20 0.32

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
SCHEMBL30645250 1.00 MME (0.40) MMENPSR1PTPN1GSK3BHDAC9
SCHEMBL9527248 0.89 ATM (0.39) MMECETP
SCHEMBL27796327 0.85 MME (0.41) MMENPSR1HDAC9ADRA2AADRA2B
SCHEMBL12929037 0.82 GSK3B (0.35) GSK3BADRA2AALDH1A1NOTUM
SCHEMBL1270468 0.81 ADRA2A (0.42) PTPN1ADRA2AADRA2BADRA2CADRA1B
SCHEMBL857043 0.79 MME (0.46) MMENPSR1HDAC9ADRA2AADRA2B
SCHEMBL855127 0.79 MME (0.42) MMENPSR1HDAC9ADRA2AADRA2B
SCHEMBL31034835 0.79 MME (0.46) MMENPSR1HDAC9ADRA2AADRA2B
Hydrochloric Acid SCHEMBL856898 0.78 MME (0.45) MMENPSR1HDAC9BRD4MMP8
SCHEMBL31034910 0.78 MME (0.41) MMENPSR1HDAC9ADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117186010-A Synthesis method of atimetazole hydrochloride 厦门欧瑞捷生物科技有限公司 2023-12-08 CN disclosed
CN-112225700-B Preparation method of atemezole 湖南新合新生物医药有限公司 2023-11-17 CN disclosed
CN-112225700-A Preparation method of altimezole 湖南新合新生物医药有限公司 2021-01-15 CN disclosed
CN-111925330-A Preparation method of altimezole 上海阿达玛斯试剂有限公司 2020-11-13 CN disclosed
US-8431717-B2 Process for the preparation of 5-(2-ethyl-dihydro-1H-inden-2-yl)-1H-imidazole and salts thereof JSC GRINDEKS (LV) 2013-04-30 US disclosed
EP-2225209-B1 PROCESS FOR THE PREPARATION OF 5-(2-ETHYL-DIHYDRO-1H-INDEN-2-YL)-1H-IMIDAZOLE AND SALTS THEREOF GRINDEKS JSC (LV) 2012-03-28 EP disclosed
US-20110028733-A1 PROCESS FOR THE PREPARATION OF 5-(2-ETHYL-DIHYDRO-1H-INDEN-2-YL)-1H-IMIDAZOLE AND SALTS THEREOF JSC GRINDEKS (LV) 2011-02-03 US disclosed
EP-2225209-A1 PROCESS FOR THE PREPARATION OF 5-(2-ETHYL-DIHYDRO-1H-INDEN-2-YL)-1H-IMIDAZOLE AND SALTS THEREOF Grindeks, a joint stock company (LV) 2010-09-08 EP disclosed
WO-2009071584-A1 PROCESS FOR THE PREPARATION OF 5-(2-ETHYL-DIHYDRO-1H-INDEN-2-YL)-1H-IMIDAZOLE AND SALTS THEREOF GRINDEKS, A JOINT STOCK COMPANY (LV) 2009-06-11 WO 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-20110028733-A1 PROCESS FOR THE PREPARATION OF 5-(2-ETHYL-DIHYDRO-1H-INDEN-2-YL)-1H-IMIDAZOLE AND SALTS THEREOF CYP3A5, CYP3A4, IPO5 MME 1522/4885NPSR1 3167/4885PTPN1 3792/4885

“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.