SCHEMBL3214286

SCHEMBL3214286

OCc1cc(Cl)cc2cc(-c3cccnc3)oc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 6/20 0.48
CYP1A2 P05177 3/20 0.45
KDM4E B2RXH2 2/20 0.45
CYP1A1 P04798 1/20 0.45
PRKDC P78527 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP1B1 Q16678 1/20 0.45
PTGER1 P34995 7/20 0.44
CYP2C19 P33261 5/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP3A4 P08684 4/20 0.39
CYP2D6 P10635 4/20 0.39
CYP2C9 P11712 4/20 0.39
CYP2E1 P05181 3/20 0.39
CYP2B6 P20813 3/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39

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
SCHEMBL3224946 0.84 PTGER1 (0.55) PTGER1NPC1RAB9A
SCHEMBL3203615 0.79 PTGER1 (0.41) CYP1A2KDM4ECYP1A1PRKDCKMT2A
SCHEMBL3214911 0.76 ERAP1 (0.43) CYP1A2CYP1A1CYP1B1PTGER1
SCHEMBL3213364 0.76 PTGER1 (0.82) PTGER1
SCHEMBL3225640 0.75 CCR1 (0.45) CYP1A2KDM4ECYP1A1CYP1B1PTGER1
SCHEMBL3225601 0.75 NR4A2 (0.46) CYP1A2KDM4ECYP1A1PRKDCKMT2A
SCHEMBL3222350 0.73 PTGER1 (0.66) PTGER1
SCHEMBL3218484 0.70 POLB (0.44) CYP1A2KMT2APTGER1NPC1RAB9A
SCHEMBL15867533 0.68 CYP19A1 (0.51) CYP2A6CYP1A2KDM4ECYP1A1PRKDC
SCHEMBL23804767 0.68 CYP1A2 (0.46) CYP2A6CYP1A2KDM4ECYP1A1PRKDC

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-20100056527-A1 BENZOFURAN COMPOUNDS USEFUL IN THE TREATMENT OF CONDITIONS MEDIATED BY THE ACTION OF PGE2 AT THE EP1 RECEPTOR GLAXO GROUP LIMITED 2010-03-04 US disclosed
US-20100056527-A1 BENZOFURAN COMPOUNDS USEFUL IN THE TREATMENT OF CONDITIONS MEDIATED BY THE ACTION OF PGE2 AT THE EP1 RECEPTOR GLAXO GROUP LIMITED 2010-03-04 US disclosed
US-20100056527-A1 BENZOFURAN COMPOUNDS USEFUL IN THE TREATMENT OF CONDITIONS MEDIATED BY THE ACTION OF PGE2 AT THE EP1 RECEPTOR GLAXO GROUP LIMITED 2010-03-04 US disclosed
EP-2129670-A2 BENZOFURAN COMPOUNDS USEFUL IN THE TREATMENT OF CONDITIONS MEDIATED BY THE ACTION OF PGE2 AT THE EP1 RECEPTOR Glaxo Group Limited (GB) 2009-12-09 EP disclosed
WO-2008098978-A2 BENZOFURAN COMPOUNDS USEFUL IN THE TREATMENT OF CONDITIONS MEDIATED BY THE ACTION OF PGE2 AT THE EP1 RECEPTOR GLAXO GROUP LIMITED (GB) 2008-08-21 WO disclosed
WO-2008098978-A2 BENZOFURAN COMPOUNDS USEFUL IN THE TREATMENT OF CONDITIONS MEDIATED BY THE ACTION OF PGE2 AT THE EP1 RECEPTOR GLAXO GROUP LIMITED (GB) 2008-08-21 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-20100056527-A1 BENZOFURAN COMPOUNDS USEFUL IN THE TREATMENT OF CONDITIONS MEDIATED BY THE ACTION OF PGE2 AT THE EP1 RECEPTOR PTGER1, PTGER2, PTGER4 CYP2A6 119/4885CYP1A2 69/4885KDM4E 3664/4885

“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.