SCHEMBL3301544

SCHEMBL3301544

O=C(CBr)c1ccc(Br)o1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.55
HPGD P15428 7/20 0.47
KMT2A Q03164 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 2/20 0.47
MEN1 O00255 2/20 0.47
MAPT P10636 2/20 0.47
TSHR P16473 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
THRB P10828 1/20 0.46
HSD17B10 Q99714 2/20 0.45
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
GSK3B P49841 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL13181083 0.83 ALDH1A1 (0.55) ALDH1A1HPGDKMT2ASMN1; SMN2LMNA
SCHEMBL8278421 0.83 ALDH1A1 (0.55) ALDH1A1HPGDKMT2ASMN1; SMN2LMNA
SCHEMBL12140118 0.80 ERCC5 (0.44) ALDH1A1HPGDLMNAHSD17B10GSK3B
SCHEMBL14264621 0.79 ALDH1A1 (0.56) ALDH1A1HPGDKMT2ASMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL9372237 0.79 ALDH1A1 (0.52) ALDH1A1HPGDKMT2ASMN1; SMN2LMNA
SCHEMBL16452706 0.79 ALDH1A1 (0.56) ALDH1A1HPGDKMT2ASMN1; SMN2LMNA
SCHEMBL128021 0.77 HPGD (0.50) ALDH1A1HPGDSMN1; SMN2LMNAMAPT
SCHEMBL27623978 0.77 ALDH1A1 (0.57) ALDH1A1HPGDKMT2ASMN1; SMN2LMNA
SCHEMBL1426436 0.76 ALDH1A1 (0.49) ALDH1A1HPGDKMT2ASMN1; SMN2LMNA
SCHEMBL13963537 0.75 ALDH1A1 (0.51) ALDH1A1HPGDKMT2ASMN1; SMN2LMNA

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7432278-B2 Dicationic imidazo[1,2-a]pyridines and 5,6,7,8-tetrahydro-imidazo[1,2-a]pyridines as antiprotozoal agents THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2008-10-07 US claimed
US-20050282853-A1 Novel dicationic imidazo[1,2-a]pyridines and 5,6,7,8,-tetrahydro-imidazo[1,2,-a]pyridines as antiprotozoal agents BOYKIN DAVID W 2005-12-22 US claimed
US-8569336-B2 Compounds for the treatment of inflammatory disorders TONG LING (US) 2013-10-29 US disclosed
US-8569336-B2 Compounds for the treatment of inflammatory disorders TONG LING (US) 2013-10-29 US disclosed
US-8420052-B2 Imaging agents useful for identifying AD pathology SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2013-04-16 US disclosed
US-8420052-B2 Imaging agents useful for identifying AD pathology SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2013-04-16 US disclosed
US-8420052-B2 Imaging agents useful for identifying AD pathology SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2013-04-16 US disclosed
US-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TONG LING (US) 2012-01-19 US disclosed
US-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TONG LING (US) 2012-01-19 US disclosed
WO-2010054278-A2 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION (US) 2010-05-14 WO disclosed
US-20100098634-A1 Imaging Agents Useful for Identifying AD Pathology SIEMENS MEDICAL SOLUTIONS USA, INC. 2010-04-22 US disclosed
US-7432278-B2 Dicationic imidazo[1,2-a]pyridines and 5,6,7,8-tetrahydro-imidazo[1,2-a]pyridines as antiprotozoal agents THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2008-10-07 US disclosed
US-7432278-B2 Dicationic imidazo[1,2-a]pyridines and 5,6,7,8-tetrahydro-imidazo[1,2-a]pyridines as antiprotozoal agents THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2008-10-07 US disclosed
US-7326727-B2 Furanthiazole derivatives as heparanase inhibitors OXFORD GLYCOSCIENCES (UK) LTD. (GB) 2008-02-05 US disclosed
US-7326727-B2 Furanthiazole derivatives as heparanase inhibitors OXFORD GLYCOSCIENCES (UK) LTD. (GB) 2008-02-05 US disclosed
EP-1745045-A2 NOVEL DICATIONIC IMIDAZO 1,2-a PYRIDINES AND 5,6,7,8-TE TRAHYDRO-IMIDAZO 1,2a PYRIDINES AS ANTIPROTOZOAL AGENTS The University of North Carolina at Chapel Hill (US) 2007-01-24 EP disclosed
US-20050282853-A1 Novel dicationic imidazo[1,2-a]pyridines and 5,6,7,8,-tetrahydro-imidazo[1,2,-a]pyridines as antiprotozoal agents BOYKIN DAVID W 2005-12-22 US disclosed
WO-2005086808-A2 NOVEL DICATIONIC IMIDAZO[1,2-a]PYRIDINES AND 5,6,7,8-TETRAHYDRO-IMIDAZO[1,2a]PYRIDINES AS ANTIPROTOZOAL AGENTS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2005-09-22 WO disclosed
EP-0399645-B1 Tetrahydropyranyl derivatives, process for their preparation and pharmaceutical or veterinary compositions containing them BEECHAM GROUP PLC (GB) 1994-11-09 EP disclosed
EP-0399645-A2 Tetrahydropyranyl derivatives, process for their preparation and pharmaceutical or veterinary compositions containing them BEECHAM GROUP PLC (GB) 1990-11-28 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 (3 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-20100098634-A1 Imaging Agents Useful for Identifying AD Pathology APP, APBA1, PYGB ALDH1A1 1389/4885HPGD 2793/4885KMT2A 3496/4885
US-20050282853-A1 Novel dicationic imidazo[1,2-a]pyridines and 5,6,7,8,-tetrahydro-imidazo[1,2,-a]pyridines as antiprotozoal agents PBRM1, QDPR, DHPS ALDH1A1 1820/4885HPGD 1733/4885KMT2A 1436/4885
US-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, ADAMTS1, ADAMTS7 ALDH1A1 1104/4885HPGD 225/4885KMT2A 4253/4885

“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.