SCHEMBL2500568

SCHEMBL2500568

COc1ncc(-c2cccc(-n3cnc(C(=O)c4ccccc4OC)c3)c2)c(OC)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 1/20 0.40
CNR2 P34972 1/20 0.38
QPCT Q16769 1/20 0.37
QPCTL Q9NXS2 1/20 0.37
RORC P51449 2/20 0.37
RORB Q92753 2/20 0.37
TUBB4A P04350 12/20 0.36
TUBB P07437 12/20 0.36
TUBA3C P0DPH7 12/20 0.36
TUBA1B P68363 12/20 0.36
TUBA4A P68366 12/20 0.36
TUBB4B P68371 12/20 0.36
TUBB3 Q13509 12/20 0.36
TUBB2A Q13885 12/20 0.36
TUBB8 Q3ZCM7 12/20 0.36
TUBA3E Q6PEY2 12/20 0.36
TUBA1A Q71U36 12/20 0.36
TUBA1C Q9BQE3 12/20 0.36
TUBB6 Q9BUF5 12/20 0.36
TUBB2B Q9BVA1 12/20 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
SCHEMBL1882946 0.86 KDM4E (0.43) PTGES2QPCTQPCTL
SCHEMBL2493441 0.86 PTGES2 (0.40) PTGES2QPCTQPCTLTUBB4ATUBB
SCHEMBL2493951 0.86 PTGES2 (0.39) PTGES2QPCTQPCTLTUBB4ATUBB
SCHEMBL2495295 0.85 HTR7 (0.44) CNR2RORCRORBTUBB4ATUBB
SCHEMBL2499271 0.85 PDE10A (0.40) PTGES2QPCTQPCTLTUBB4ATUBB
SCHEMBL2499463 0.85 PTGES2 (0.41) PTGES2QPCTQPCTL
SCHEMBL2498117 0.84 PDE10A (0.41) PTGES2QPCTQPCTLTUBB4ATUBB
SCHEMBL2494691 0.84 KDM4E (0.43) PTGES2CNR2QPCTQPCTLTUBB4A
SCHEMBL2498249 0.83 ESRRA (0.44) CNR2RORBTUBB4ATUBBTUBA3C
SCHEMBL2500063 0.83 TUBB4A (0.39) PTGES2QPCTQPCTLTUBB4ATUBB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8030339-B2 Imidazole derivatives for the treatment of anxiety and related diseases NEUROSEARCH A/S (DK) 2011-10-04 US claimed
US-20090233929-A1 Imidazole Derivatives for the Treatment of Anxiety and Related Diseases NEUROSEARCH A/S (DK) 2009-09-17 US claimed
EP-1937649-A1 IMIDAZOLE DERIVATIVES FOR THE TREATMENT OF ANXIETY AND RELATED DISEASES NEUROSEARCH A/S (DK) 2008-07-02 EP claimed
WO-2007042546-A1 IMIDAZOLE DERIVATIVES FOR THE TREATMENT OF ANXIETY AND RELATED DISEASES NEUROSEARCH A/S (DK) 2007-04-19 WO claimed
US-8030339-B2 Imidazole derivatives for the treatment of anxiety and related diseases NEUROSEARCH A/S (DK) 2011-10-04 US disclosed
US-20090233929-A1 Imidazole Derivatives for the Treatment of Anxiety and Related Diseases NEUROSEARCH A/S (DK) 2009-09-17 US disclosed
EP-1937649-A1 IMIDAZOLE DERIVATIVES FOR THE TREATMENT OF ANXIETY AND RELATED DISEASES NEUROSEARCH A/S (DK) 2008-07-02 EP disclosed
WO-2007042546-A1 IMIDAZOLE DERIVATIVES FOR THE TREATMENT OF ANXIETY AND RELATED DISEASES NEUROSEARCH A/S (DK) 2007-04-19 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-20090233929-A1 Imidazole Derivatives for the Treatment of Anxiety and Related Diseases GABBR1, GABRB2, GABRB3 PTGES2 1294/4885CNR2 48/4885QPCT 1797/4885

“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.