SCHEMBL12722754

SCHEMBL12722754

COc1cc(OC)c(S(=O)(=O)Cl)cc1-c1ccnn1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 7/20 0.49
MAPT P10636 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
ATM Q13315 1/20 0.40
SCN9A Q15858 3/20 0.40
PTGER1 P34995 1/20 0.39
TRPV4 Q9HBA0 1/20 0.39
GAA P10253 2/20 0.38
CYP2C9 P11712 1/20 0.36
CYP2C18 P33260 1/20 0.36
CYP2C19 P33261 1/20 0.36
HPGDS O60760 1/20 0.36
ALK Q9UM73 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
SCHEMBL1219165 0.85 HSP90AA1 (0.40) PDE10AMAPTALDH1A1LMNATRPV4
SCHEMBL1629643 0.85 NR3C2 (0.39) PDE10AMAPTALDH1A1LMNATRPV4
SCHEMBL27675323 0.82 NR3C2 (0.37) PDE10AMAPTALDH1A1LMNATRPV4
SCHEMBL1628852 0.80 ALK (0.41) PDE10AMAPTALDH1A1LMNASCN9A
SCHEMBL12722869 0.80 PDE10A (0.49) PDE10AMAPTALDH1A1LMNAATM
SCHEMBL1629555 0.79 PDE10A (0.48) PDE10AMAPTALDH1A1LMNAATM
SCHEMBL12722811 0.78 PDE10A (0.48) PDE10AMAPTALDH1A1LMNAATM
SCHEMBL14378206 0.76 TRPV4 (0.33) TRPV4
SCHEMBL1630418 0.75 HSP90AA1 (0.41) PDE10AMAPTALDH1A1LMNA
SCHEMBL1628788 0.75 HSP90AA1 (0.41) PDE10AMAPTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7932401-B2 Heat Shock Protein 90 (HSP90) inhibitors; 5-(2-hydroxy-4-methoxyphenyl)-1-(3-nitrophenyl)-1H-pyrazole for example; antitumor agent, viral diseases, transplant rejection, cystic fibrosis, angiogenesis inhibition, infectious, autoimmune, or inflammatory diseases, ischemia, chemotherapy cytoprotectant MERCK PATENT GMBH (DE) 2011-04-26 US disclosed
US-7906657-B2 1,5-diphenylpyrazoles II as HSP90 inhibitors MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2011-03-15 US disclosed
US-20110028485-A1 1,5-DIPHENYLPYRAZOLES II AS HSP90 INHIBITORS EGGENWEILER HANS-MICHAEL 2011-02-03 US disclosed
US-20090325974-A1 1,5-DIPHENYLPYRAZOLES II AS HSP90 INHIBITORS MERCK PATENT GESELLSCHAFT (DE) 2009-12-31 US disclosed
US-20080085904-A1 1,5-Diphenylpyrazoles MERCK PATENT GMBH (DE) 2008-04-10 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 (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-20090325974-A1 1,5-DIPHENYLPYRAZOLES II AS HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90AB2P PDE10A 3712/4885MAPT 2046/4885ALDH1A1 979/4885
US-20080085904-A1 1,5-Diphenylpyrazoles HSP90AB1, HSP90AA1, HSP90AB2P PDE10A 3756/4885MAPT 2299/4885ALDH1A1 777/4885
US-20110028485-A1 1,5-DIPHENYLPYRAZOLES II AS HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90AB2P PDE10A 3712/4885MAPT 2046/4885ALDH1A1 979/4885

“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.