SCHEMBL4092391

SCHEMBL4092391

COC(=O)CC(Br)C(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 6/20 0.48
KMT2A Q03164 3/20 0.47
TSHR P16473 1/20 0.46
POLB P06746 3/20 0.44
MEN1 O00255 1/20 0.44
AKT1 P31749 1/20 0.43
PGR P06401 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
HTR2A P28223 1/20 0.41
HRH1 P35367 1/20 0.41
KCNH2 Q12809 1/20 0.41
ESRRB O95718 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
MDM2 Q00987 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL12593806 0.85 TDP1 (0.47) KMT2AMEN1L3MBTL1ALDH1A1CYP3A4
SCHEMBL1108991 0.83 ALDH1A1 (0.55) KMT2AMEN1HTTNPSR1ALDH1A1
SCHEMBL10403783 0.83 L3MBTL1 (0.43) KCNH2L3MBTL1MDM2HTTALDH1A1
SCHEMBL13240400 0.83 KMT2A (0.51) KMT2ATSHRMEN1PGRADRA2A
SCHEMBL5062402 0.83 ALDH1A1 (0.48) KMT2AMEN1HTTALDH1A1
SCHEMBL5395543 0.83 AKT1 (0.48) KCNA5KMT2ATSHRAKT1ESRRB
SCHEMBL10050539 0.82 SMN1; SMN2 (0.40) KCNA5L3MBTL1ALDH1A1TDP1
SCHEMBL27682310 0.82 ALDH1A1 (0.44) KCNA5KMT2AMEN1HTTALDH1A1
SCHEMBL22076551 0.81 KMT2A (0.49) KCNA5KMT2ATSHRPOLBMEN1
SCHEMBL8535929 0.81 KCNA5 (0.49) KCNA5KMT2ATSHRPOLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8980887-B2 2-aryl imidazo[1,2-a]pyridine-3-acetamide derivatives, preparation methods and uses thereof INSTITUTE OF PHARMACOLOGY (CN) 2015-03-17 US disclosed
US-20130203754-A1 2-Aryl Imidazo[1,2-a]Pyridine-3-Acetamide Derivatives, Preparation Methods and Uses Thereof INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2013-08-08 US disclosed
US-20090221604-A1 Thiazole Compounds and Their Use as PGD2 Antagonists ARGENTA DISCOVERY LIMITED (GB) 2009-09-03 US disclosed
US-20080119456-A1 Substituted Thiazoleacetic Acid as Crth2 Ligands 7TM PHARMA A/S (DK) 2008-05-22 US disclosed
EP-1922312-A1 THIAZOLE COMPOUNDS AND THEIR USE AS PGD2 ANTAGONISTS Argenta Discovery Limited (GB) 2008-05-21 EP disclosed
WO-2007028999-A1 THIAZOLE COMPOUNDS AND THEIR USE AS PGD2 ANTAGONISTS ARGENTA DISCOVERY LIMITED (GB) 2007-03-15 WO disclosed
US-4596816-A Pharmaceuticals TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1986-06-24 US disclosed
EP-0092239-A2 Oxazole derivatives, production and use thereof Takeda Chemical Industries, Ltd. (JP) 1983-10-26 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-20130203754-A1 2-Aryl Imidazo[1,2-a]Pyridine-3-Acetamide Derivatives, Preparation Methods and Uses Thereof TSPO, SLC6A1, TBXA2R KCNA5 674/4885KMT2A 2294/4885TSHR 548/4885
US-20080119456-A1 Substituted Thiazoleacetic Acid as Crth2 Ligands HRH1, HRH2, HRH3 KCNA5 2962/4885KMT2A 3740/4885TSHR 93/4885
US-20090221604-A1 Thiazole Compounds and Their Use as PGD2 Antagonists PTGDR2, PTGDR, PTGER2 KCNA5 1912/4885KMT2A 3556/4885TSHR 509/4885

“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.