SCHEMBL6836854

SCHEMBL6836854

COc1ccc2c(c1)nc(C=Cc1ccccc1)n2-c1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.48
POLB P06746 3/20 0.47
ALDH1A1 P00352 3/20 0.47
LMNA P02545 3/20 0.47
KDM4E B2RXH2 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 2/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
NFKB1 P19838 1/20 0.47
NPY1R P25929 1/20 0.47
NPY2R P49146 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL6836851 1.00 PDE10A (0.48) PDE10APOLBALDH1A1LMNAKDM4E
Oxalic Acid SCHEMBL6838622 0.95 PDE10A (0.47) PDE10APOLBALDH1A1LMNAKDM4E
Oxalic Acid SCHEMBL6838619 0.95 PDE10A (0.47) PDE10APOLBALDH1A1LMNAKDM4E
SCHEMBL7473131 0.87 PDE10A (0.44) PDE10APOLBALDH1A1LMNAKDM4E
SCHEMBL7473122 0.87 PDE10A (0.44) PDE10APOLBALDH1A1LMNAKDM4E
Hydrochloric Acid SCHEMBL6843920 0.87 ALDH1A1 (0.48) PDE10APOLBALDH1A1LMNAKDM4E
Hydrochloric Acid SCHEMBL6843922 0.87 ALDH1A1 (0.48) PDE10APOLBALDH1A1LMNAKDM4E
Oxalic Acid SCHEMBL6835746 0.86 POLB (0.46) POLBALDH1A1LMNAKDM4ENPC1
Oxalic Acid SCHEMBL6835748 0.86 POLB (0.46) POLBALDH1A1LMNAKDM4ENPC1
Hydrochloric Acid SCHEMBL6838646 0.86 NPC1 (0.47) PDE10APOLBALDH1A1LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0937722-B1 Benzimidazole derivatives as cyclooxygenase-2 inhibitors PFIZER (US) 2002-07-03 EP claimed
US-20040181062-A1 Benzimidazole cyclooxygenase-2 inhibitor PFIZER INC 2004-09-16 US disclosed
US-6713482-B2 SUCH AS (E)-1-(2-PYRIDYL)-2-STYRYL-1H-BENZIMIDAZOLE; ANTIINFLAMMATORY AND ANALGESIC AGENTS; PROSTAGLANDIN INHIBITORS PFIZER INC. 2004-03-30 US disclosed
US-20030013886-A1 Benzimidazole cyclooxygenase-2 inhibitors OKUMURA YOSHIYUKI (JP) 2003-01-16 US disclosed
EP-0937722-B1 Benzimidazole derivatives as cyclooxygenase-2 inhibitors PFIZER (US) 2002-07-03 EP disclosed
US-6310079-B1 NON-STEROIDAL ANTIINFLAMMATORY AGENTS PFIZER INC. 2001-10-30 US disclosed
EP-0937722-A1 Benzimidazole derivatives as cyclooxygenase-2 inhibitors PFIZER INC. (US) 1999-08-25 EP 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-20030013886-A1 Benzimidazole cyclooxygenase-2 inhibitors PTGS1, CBR1, CBR3 PDE10A 3397/4885POLB 4305/4885ALDH1A1 209/4885
US-20040181062-A1 Benzimidazole cyclooxygenase-2 inhibitor PTGS1, CBR1, CBR3 PDE10A 3581/4885POLB 4341/4885ALDH1A1 203/4885

“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.