SCHEMBL3159482

SCHEMBL3159482

[CH2]COCc1cccc(Br)c1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.60
AGXT P21549 2/20 0.60
MAOB P27338 12/20 0.56
TAAR1 Q96RJ0 3/20 0.47
MAOA P21397 4/20 0.45
HCAR2 Q8TDS4 1/20 0.45
PARP15 Q460N3 1/20 0.44
PARP14 Q460N5 1/20 0.44
PARP10 Q53GL7 1/20 0.44

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
SCHEMBL1767187 0.87 IDO1 (0.69) IDO1AGXTMAOBTAAR1MAOA
SCHEMBL9347048 0.83 IDO1 (0.64) IDO1AGXTMAOBTAAR1MAOA
SCHEMBL31568444 0.82 TSHR (0.62) IDO1AGXTMAOBTAAR1MAOA
SCHEMBL22469745 0.82 TSHR (0.62) IDO1AGXTMAOBTAAR1MAOA
SCHEMBL6291712 0.82 IDO1 (0.62) IDO1AGXTMAOBTAAR1MAOA
SCHEMBL30487709 0.80 IDO1 (0.60) IDO1AGXTMAOBTAAR1MAOA
SCHEMBL8132483 0.80 IDO1 (0.60) IDO1AGXTMAOBTAAR1MAOA
SCHEMBL11019425 0.80 IDO1 (0.60) IDO1AGXTMAOBTAAR1MAOA
SCHEMBL9134590 0.79 IDO1 (0.55) IDO1AGXTMAOBTAAR1MAOA
SCHEMBL514759 0.79 IDO1 (0.64) IDO1AGXTMAOBTAAR1MAOA

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 4 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
CN-101516878-A Thiadiazole compound and use thereof SUMITOMO CHEMICAL CO (JP) 2009-08-26 CN 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 IDO1 1716/4885AGXT 3155/4885MAOB 1907/4885

“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.