SCHEMBL2499587

SCHEMBL2499587

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 1/20 0.39
QPCT Q16769 1/20 0.38
QPCTL Q9NXS2 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
P2RX3 P56373 1/20 0.35
LDHA P00338 1/20 0.35
CTSL P07711 1/20 0.35
MDM2 Q00987 2/20 0.34
PPARD Q03181 1/20 0.34
F2RL3 Q96RI0 1/20 0.33
FAAH O00519 1/20 0.33
CES1 P23141 1/20 0.33
DHFR P00374 2/20 0.33
USP30 Q70CQ3 1/20 0.33
GABRG2 P18507 1/20 0.32

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 0.88 KDM4E (0.43) PTGES2QPCTQPCTLMEN1KMT2A
SCHEMBL2499463 0.86 PTGES2 (0.41) PTGES2QPCTQPCTLMEN1KMT2A
SCHEMBL2493951 0.84 PTGES2 (0.39) PTGES2QPCTQPCTLMEN1KMT2A
SCHEMBL1880802 0.83 NOTUM (0.51) PTGES2QPCTQPCTLMEN1KMT2A
SCHEMBL2498117 0.82 PDE10A (0.41) PTGES2QPCTQPCTLMEN1KMT2A
SCHEMBL2493441 0.82 PTGES2 (0.40) PTGES2QPCTQPCTLMEN1KMT2A
SCHEMBL2499271 0.81 PDE10A (0.40) PTGES2QPCTQPCTLMEN1KMT2A
SCHEMBL2500568 0.81 PTGES2 (0.40) PTGES2QPCTQPCTL
SCHEMBL2499577 0.81 USP30 (0.42) PTGES2QPCTQPCTLMEN1KMT2A
SCHEMBL2494691 0.81 KDM4E (0.43) PTGES2QPCTQPCTLMEN1KMT2A

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-20090233929-A1 Imidazole Derivatives for the Treatment of Anxiety and Related Diseases NEUROSEARCH A/S (DK) 2009-09-17 US 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 1294/4885QPCT 1797/4885QPCTL 3160/4885

“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.