SCHEMBL856404

SCHEMBL856404

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

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.33
GSK3B P49841 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
MME P08473 2/20 0.33
CYP3A4 P08684 1/20 0.33
MMP8 P22894 1/20 0.32
ALDH1A1 P00352 3/20 0.32
CYP2C19 P33261 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
TSHR P16473 1/20 0.32
CXCR5 P32302 2/20 0.32
LMNA P02545 2/20 0.31
NAMPT P43490 1/20 0.31
KMT2A Q03164 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31

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
SCHEMBL30681192 1.00 PTPN1 (0.33) PTPN1GSK3BHDAC9MMECYP3A4
SCHEMBL9770120 0.78 HDAC9 (0.41) HDAC9MMEMMP8ALDH1A1CYP2C19
SCHEMBL9770009 0.78 HDAC9 (0.37) HDAC9MMECYP3A4MMP8ALDH1A1
SCHEMBL856816 0.77 NOTUM (0.38) HDAC9ALDH1A1CXCR5KMT2ACNR1
Hydrochloric Acid SCHEMBL9770018 0.77 HDAC9 (0.40) HDAC9MMEMMP8ALDH1A1CYP2C19
SCHEMBL9528035 0.74 PTPN1 (0.38) PTPN1GSK3BHDAC9MMEMMP8
SCHEMBL855461 0.73 BRD4 (0.41) PTPN1GSK3BHDAC9MMEMMP8
SCHEMBL9770038 0.72 BRD4 (0.48) ALDH1A1ADRA1ATSHRLMNAKMT2A
SCHEMBL856751 0.70 MME (0.40) PTPN1GSK3BHDAC9MMEMMP8
SCHEMBL30645250 0.70 MME (0.40) PTPN1GSK3BHDAC9MMEMMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PTPN1 3792/4885GSK3B 3235/4885HDAC9 3374/4885

“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.