SCHEMBL4886193

SCHEMBL4886193

Cc1cn2cc(Br)cc(Br)c2n1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
HRH3 Q9Y5N1 1/20 0.39
APP P05067 2/20 0.35
NPSR1 Q6W5P4 2/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 2/20 0.32
LMNA P02545 2/20 0.31
PRNP P04156 1/20 0.31
HPGD P15428 1/20 0.31
NOD2 Q9HC29 1/20 0.31
EGFR P00533 1/20 0.30
GRM5 P41594 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL23571661 0.84 RXFP1 (0.60) RXFP1L3MBTL1APPNPSR1TSHR
Bromide SCHEMBL30359290 0.82 RXFP1 (0.58) RXFP1L3MBTL1APPNPSR1TSHR
SCHEMBL15068755 0.81 RXFP1 (0.41) RXFP1L3MBTL1APPNPSR1TSHR
SCHEMBL4891536 0.81 RXFP1 (0.41) RXFP1L3MBTL1APPNPSR1TSHR
SCHEMBL31210532 0.81 RXFP1 (0.45) RXFP1L3MBTL1APPNPSR1TSHR
SCHEMBL24387034 0.81 APP (0.52) RXFP1L3MBTL1APPNPSR1TSHR
SCHEMBL23293908 0.81 RXFP1 (0.41) RXFP1L3MBTL1APPNPSR1TSHR
SCHEMBL23571402 0.81 RXFP1 (0.35) RXFP1GRM5
SCHEMBL23571406 0.81 TRPA1 (0.37) RXFP1LMNAGRM5ALDH1A1MAPT
Bromide SCHEMBL30426544 0.79 RXFP1 (0.41) RXFP1L3MBTL1APPNPSR1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2753611-B1 SUBSTITUTED BENZOFURAN COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME (US) 2018-04-11 EP disclosed
EP-2753611-B1 SUBSTITUTED BENZOFURAN COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME (US) 2018-04-11 EP disclosed
US-20150246902-A1 SUBSTITUED BENZOFURAN COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2015-09-03 US disclosed
US-20150246902-A1 SUBSTITUED BENZOFURAN COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2015-09-03 US disclosed
US-20150246902-A1 SUBSTITUED BENZOFURAN COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2015-09-03 US disclosed
WO-2013034048-A1 SUBSTITUTED BENZOFURAN COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2013-03-14 WO disclosed
WO-2013034048-A1 SUBSTITUTED BENZOFURAN COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2013-03-14 WO disclosed
US-20080255358-A1 Derivatives of Imidazo [1,2-A] Pyridine Useful as Medicaments For Treating Gastrointestinal Diseases GLAXO GROUP LIMITED (GB) 2008-10-16 US disclosed
US-20080255358-A1 Derivatives of Imidazo [1,2-A] Pyridine Useful as Medicaments For Treating Gastrointestinal Diseases GLAXO GROUP LIMITED (GB) 2008-10-16 US disclosed
US-20080255358-A1 Derivatives of Imidazo [1,2-A] Pyridine Useful as Medicaments For Treating Gastrointestinal Diseases GLAXO GROUP LIMITED (GB) 2008-10-16 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 (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-20080255358-A1 Derivatives of Imidazo [1,2-A] Pyridine Useful as Medicaments For Treating Gastrointestinal Diseases ALPI, PYGL, PPIP5K2 RXFP1 2831/4885L3MBTL1 4696/4885HRH3 257/4885
US-20150246902-A1 SUBSTITUED BENZOFURAN COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES EIF5B, EIF2AK2, HCCS RXFP1 4763/4885L3MBTL1 2854/4885HRH3 4189/4885

“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.