SCHEMBL16708129

SCHEMBL16708129

Cc1cc(Br)c2oc(C(=O)CBr)cc2c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.43
GSK3B P49841 4/20 0.40
MAOA P21397 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
F12 P00748 1/20 0.37
PIM1 P11309 1/20 0.36
GPR35 Q9HC97 1/20 0.35
XDH P47989 1/20 0.33

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
SCHEMBL16710650 0.82 PIM1 (0.43) MAOBGSK3BMAOAALDH1A1MEN1
SCHEMBL26244629 0.79 MAOB (0.52) MAOBMAOAALDH1A1MEN1LMNA
SCHEMBL26244655 0.78 MAPT (0.53) MAOBMAOAALDH1A1MEN1LMNA
SCHEMBL16708233 0.73 TAS1R3 (0.53) MAOBGSK3BMAOAALDH1A1LMNA
SCHEMBL16708142 0.72 PIM1 (0.38) GSK3BALDH1A1MEN1LMNAMAPT
SCHEMBL16708178 0.72 PIM1 (0.72) MAOBALDH1A1MEN1LMNAMAPT
SCHEMBL24791806 0.70 MAOB (0.50) MAOBMAOAALDH1A1F12GPR35
SCHEMBL16708124 0.70 GSK3B (0.44) MAOBGSK3BALDH1A1MEN1LMNA
SCHEMBL5772244 0.70 CA12 (0.38) ALDH1A1LMNAMAPTHTTPIM1
SCHEMBL5771969 0.67 LMNA (0.39) MEN1LMNAMAPTHTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9862730-B2 Imidazothiadiazole derivatives as protease activated receptor 4 (PAR4) inhibitors for treating platelet aggregation BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-09 US disclosed
US-20150133446-A1 IMIDAZOTHIADIAZOLE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR 4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION UNIVERSITE DE MONTREAL (CA) 2015-05-14 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 (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-20150133446-A1 IMIDAZOTHIADIAZOLE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR 4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION F2RL3, F2R, F2RL1 MAOB 2077/4885GSK3B 1150/4885MAOA 2431/4885

“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.