SCHEMBL856816

SCHEMBL856816

C=CC1(C(C)=O)Cc2ccccc2C1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.38
HDAC9 Q9UKV0 2/20 0.36
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 2/20 0.35
CXCR5 P32302 2/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HSD17B3 P37058 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
AKT1 P31749 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
SCHEMBL9770120 0.82 HDAC9 (0.41) HDAC9ALDH1A1KMT2ACXCR5AKT1
SCHEMBL9770009 0.82 HDAC9 (0.37) NOTUMHDAC9ALDH1A1CXCR5CNR2
Hydrochloric Acid SCHEMBL9770018 0.81 HDAC9 (0.40) HDAC9ALDH1A1KMT2ACXCR5AKT1
SCHEMBL856404 0.77 PTPN1 (0.33) HDAC9ALDH1A1KMT2ACXCR5CNR1
SCHEMBL30681192 0.77 PTPN1 (0.33) HDAC9ALDH1A1KMT2ACXCR5CNR1
SCHEMBL9770038 0.76 BRD4 (0.48) ALDH1A1MEN1KMT2A
SCHEMBL25699874 0.74 MEN1 (0.42) NOTUMHDAC9ALDH1A1MEN1KMT2A
SCHEMBL30645248 0.73 NOTUM (0.45) NOTUMHDAC9ALDH1A1MEN1KMT2A
SCHEMBL8078233 0.73 NOTUM (0.45) NOTUMHDAC9ALDH1A1MEN1KMT2A
SCHEMBL8114506 0.71 NOTUM (0.43) NOTUMHDAC9ALDH1A1POLBL3MBTL1

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 12 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
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
EP-0247764-B1 4(5)-SUBSTITUTED IMIDAZOLE DERIVATIVES, AND INTERMEDIATES AND PROCESSES FOR THEIR PREPARATION ORION-YHTYMÀ„ OY (FI) 1991-08-14 EP disclosed
US-5026868-A Alpha-2 receptor antagonists FARMOS-YHTYMA OY (FI) 1991-06-25 US disclosed
US-4933359-A 4(5)-substituted imidazole derivatives as α2 -adrenergic receptor blockers FARMOS-YHTYMA OY (FI) 1990-06-12 US disclosed
EP-0247764-A1 4(5)-Substituted imidazole derivatives, and intermediates and processes for their preparation ORION-YHTYMÀ„ OY (FI) 1987-12-02 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-20110028733-A1 PROCESS FOR THE PREPARATION OF 5-(2-ETHYL-DIHYDRO-1H-INDEN-2-YL)-1H-IMIDAZOLE AND SALTS THEREOF CYP3A5, CYP3A4, IPO5 NOTUM 2023/4885HDAC9 3374/4885ALDH1A1 190/4885

“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.