SCHEMBL462653

SCHEMBL462653

CCCCc1cc2coccc-2c1N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
HTR7 P34969 1/20 0.36
HTR6 P50406 1/20 0.36
TLR8 Q9NR97 3/20 0.35
TYR P14679 1/20 0.33
SKP2 Q13309 1/20 0.33
CSNK2A1 P68400 1/20 0.31
CTRC Q99895 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 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
Hydrochloric Acid SCHEMBL5395885 0.98 HTR1A (0.36) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL5405213 0.76 CA2 (0.33) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL457900 0.75 HTR1A (0.37) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL2329649 0.74 KDM4E (0.36) HTR1ADRD2HTR2AHTR7HTR6
Methane SCHEMBL16027128 0.72 TLR8 (0.41) TLR8TYRSKP2CTRCGABRP
Hydrochloric Acid SCHEMBL6593571 0.69 ALDH1A1 (0.43) CSNK2A1
Hydroxyamine SCHEMBL27830404 0.68 ALOX5 (0.40) HTR2ATLR8TYRGABRPGABRD
SCHEMBL174991 0.68 TLR8 (0.43) HTR2ATLR8TYR
SCHEMBL30663935 0.66 DPP4 (0.44) TLR8
SCHEMBL27610566 0.66 DPP4 (0.44) TLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7312345-B2 Process for the preparation of dronedarone ISP INVESTMENTS INC. (US) 2007-12-25 US claimed
US-20050049302-A1 Process for the preparation of dronedarone ISP INVESTMENTS LLC 2005-03-03 US claimed
WO-2003040120-A1 PROCESS FOR THE PREPARATION OF DRONEDARONE ISP INVESTMENTS INC. (US) 2003-05-15 WO claimed
US-20130046103-A1 PREPARATION OF BENZOFURANS AND USE THEREOF AS SYNTHETIC INTERMEDIATES MAPI PHARMA LIMITED (IL) 2013-02-21 US disclosed
EP-2533636-A1 PREPARATION OF BENZOFURANS AND USE THEREOF AS SYNTHETIC INTERMEDIATES Mapi Pharma Limited (IL) 2012-12-19 EP disclosed
CN-102753018-A Preparation of benzofurans and their use as synthetic intermediates MAPI PHARMA HOLDINGS CYPRUS LTD 2012-10-24 CN disclosed
WO-2012120544-A2 PROCESS FOR N-[2-n-BUTYL-3-[4-[3-(DI-n-BUTYLAMINO) PROPOXY]ENZOYL]BENZOFURAN-5-YL]METHANESULFONAMIDE HYDROCHLORIDE SUN PHARMACEUTICAL INDUSTRIES LTD. (IN) 2012-09-13 WO disclosed
CN-102471302-A Preparation process of dronedarone and its salts JIANGSU HENGRUI MEDICINE CO 2012-05-23 CN disclosed
WO-2012032545-A1 PROCESSES FOR PREPARING DRONEDARONE AND ITS INTERMEDIATES CADILA HEALTHCARE LIMITED (IN) 2012-03-15 WO disclosed
WO-2011099010-A1 PREPARATION OF BENZOFURANS AND USE THEREOF AS SYNTHETIC INTERMEDIATES MAPI PHARMA HOLDINGS (CYPRUS) LIMITED (CY) 2011-08-18 WO disclosed
US-7312345-B2 Process for the preparation of dronedarone ISP INVESTMENTS INC. (US) 2007-12-25 US disclosed
US-20050049302-A1 Process for the preparation of dronedarone ISP INVESTMENTS LLC 2005-03-03 US disclosed
WO-2003040120-A1 PROCESS FOR THE PREPARATION OF DRONEDARONE ISP INVESTMENTS INC. (US) 2003-05-15 WO disclosed
WO-2003040120-A1 PROCESS FOR THE PREPARATION OF DRONEDARONE ISP INVESTMENTS INC. (US) 2003-05-15 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 (2 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-20130046103-A1 PREPARATION OF BENZOFURANS AND USE THEREOF AS SYNTHETIC INTERMEDIATES CYP2F1, CYP4F3, CYP2D6 HTR1A 3536/4885DRD2 2714/4885HTR2A 3692/4885
US-20050049302-A1 Process for the preparation of dronedarone CACNA1C, CACNA1A, KCNH1 HTR1A 2491/4885DRD2 500/4885HTR2A 1068/4885

“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.