SCHEMBL3153115

SCHEMBL3153115

[CH2]COCc1ccc(Br)cc1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PYCR1 P32322 1/20 0.38
ALOX15 P16050 3/20 0.35
HSP90AA1 P07900 1/20 0.34
TLR9 Q9NR96 1/20 0.34
TSHR P16473 1/20 0.34
MAOB P27338 2/20 0.33
MAOA P21397 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
IDO1 P14902 2/20 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
SCHEMBL3153008 0.84 ALDH1A1 (0.34) MAPK1ALDH1A1TDP1L3MBTL1ALOX15
SCHEMBL4799377 0.79 MAPK1 (0.41) MAPK1ALDH1A1TDP1L3MBTL1PYCR1
SCHEMBL23704890 0.77 ALDH1A1 (0.34) MAPK1ALDH1A1TDP1L3MBTL1PYCR1
SCHEMBL839544 0.76 PYCR1 (0.43) MAPK1ALDH1A1TDP1L3MBTL1PYCR1
SCHEMBL4799391 0.75 PYCR1 (0.43) MAPK1ALDH1A1TDP1L3MBTL1PYCR1
SCHEMBL3156443 0.75 IDO1 (0.57) ALDH1A1PYCR1TSHRSMN1; SMN2MAPT
SCHEMBL18378296 0.72 PYCR1 (0.41) MAPK1ALDH1A1TDP1L3MBTL1PYCR1
SCHEMBL7955333 0.71 ALOX15 (0.46) MAPK1ALDH1A1TDP1L3MBTL1PYCR1
SCHEMBL28770095 0.71 ALOX15 (0.39) MAPK1ALDH1A1TDP1L3MBTL1PYCR1
SCHEMBL6602043 0.71 ALDH1A1 (0.38) MAPK1ALDH1A1TDP1L3MBTL1PYCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100081693-A1 THIADIAZOLE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-04-01 US disclosed
EP-2061789-A2 THIADIAZOLE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2009-05-27 EP disclosed
WO-2008032858-A2 THIADIAZOLE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-03-20 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 (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-20100081693-A1 THIADIAZOLE COMPOUND AND USE THEREOF NR2C2, NR4A3, NR0B2 MAPK1 1831/4885ALDH1A1 1468/4885TDP1 4464/4885

“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.