SCHEMBL2336435

SCHEMBL2336435

[CH2]C(CC)CCc1cccs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.47
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
ADRA2A P08913 2/20 0.40
ADRA2B P18089 2/20 0.40
ADRA2C P18825 2/20 0.40
CYP2C19 P33261 1/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.36
HRH3 Q9Y5N1 2/20 0.36
RIPK1 Q13546 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL28201183 0.81 TAAR1 (0.50) TAAR1PTGS1PTGS2ADRA2AADRA2B
SCHEMBL19185640 0.79 TAAR1 (0.48) TAAR1PTGS1PTGS2ADRA2AADRA2B
SCHEMBL8411452 0.79 TAAR1 (0.44) TAAR1PTGS1PTGS2ADRA2AADRA2B
SCHEMBL7534232 0.78 TAAR1 (0.52) TAAR1PTGS1PTGS2ADRA2AADRA2B
SCHEMBL3389972 0.78 TAAR1 (0.47) TAAR1PTGS1PTGS2ADRA2AADRA2B
SCHEMBL7534237 0.78 TAAR1 (0.52) TAAR1PTGS1PTGS2ADRA2AADRA2B
SCHEMBL27832993 0.78 TAAR1 (0.47) TAAR1PTGS1PTGS2ADRA2AADRA2B
SCHEMBL28557511 0.76 TAAR1 (0.46) TAAR1PTGS1PTGS2ADRA2AADRA2B
SCHEMBL28101182 0.76 TAAR1 (0.46) TAAR1PTGS1PTGS2ADRA2AADRA2B
SCHEMBL8413088 0.76 TAAR1 (0.46) TAAR1PTGS1PTGS2ADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110301146-A1 GLYCOGEN SYNTHASE KINASE-3 BETA INHIBITORS CONTAINING 7-HYDROXY-BENZOIMIDAZOLE-4-YL-METHANONE DERIVATIVES ONCOTHERAPY SCIENCE, INC. (JP) 2011-12-08 US disclosed
US-20110263566-A1 7-Hydroxy-benzoimidazole-4-yl-methanone Derivatives and PBK Inhibitors Containing the Same ONCOTHERAPY SCIENCE, INC. (JP) 2011-10-27 US disclosed
EP-2364087-A1 7-HYDROXY-BENZOIMIDAZOLE-4-YL-METHANONE DERIVATIVES AND PBK INHIBITORS CONTAINING THE SAME Oncotherapy Science, Inc. (JP) 2011-09-14 EP disclosed
EP-2358365-A1 GLYCOGEN SYNTHASE KINASE-3 BETA INHIBITORS CONTAINING 7-HYDROXY-BENZOIMIDAZOLE-4-YL-METHANONE DERIVATIVES Oncotherapy Science, Inc. (JP) 2011-08-24 EP disclosed
WO-2010058512-A1 GLYCOGEN SYNTHASE KINASE-3 BETA INHIBITORS CONTAINING 7-HYDROXY-BENZOIMIDAZOLE-4-YL-METHANONE DERIVATIVES ONCOTHERAPY SCIENCE, INC. (JP) 2010-05-27 WO disclosed
WO-2010051085-A1 7-HYDROXY-BENZOIMIDAZOLE-4-YL-METHANONE DERIVATIVES AND PBK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2010-05-06 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 (2 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-20110263566-A1 7-Hydroxy-benzoimidazole-4-yl-methanone Derivatives and PBK Inhibitors Containing the Same PDXK, BCKDK, SBK1 TAAR1 4539/4885PTGS1 2392/4885PTGS2 2215/4885
US-20110301146-A1 GLYCOGEN SYNTHASE KINASE-3 BETA INHIBITORS CONTAINING 7-HYDROXY-BENZOIMIDAZOLE-4-YL-METHANONE DERIVATIVES GSK3B, GSK3A, GYS2 TAAR1 4737/4885PTGS1 2557/4885PTGS2 3055/4885

“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.