SCHEMBL3225640

SCHEMBL3225640

OCc1cc(Cl)cc2cc(-c3ccccn3)oc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.45
CCR5 P51681 1/20 0.45
CCR8 P51685 1/20 0.45
CYP1A1 P04798 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP1B1 Q16678 2/20 0.45
CBFB Q13951 3/20 0.43
PTGER1 P34995 4/20 0.40
AHR P35869 1/20 0.40
NPC1 O15118 2/20 0.39
ALDH1A1 P00352 2/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GRM5 P41594 1/20 0.39
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL3219160 0.80 CYP1A1 (0.40) CCR1CCR5CCR8CYP1A1CYP1A2
SCHEMBL3224946 0.79 PTGER1 (0.55) PTGER1NPC1RAB9A
SCHEMBL3214286 0.75 CYP2A6 (0.48) CYP1A1CYP1A2CYP1B1PTGER1NPC1
SCHEMBL3217737 0.75 PTGER1 (0.78) PTGER1
SCHEMBL3216774 0.74 AXL (0.42) CCR1CCR5CCR8CYP1A1CYP1A2
SCHEMBL14104356 0.73 PTGER1 (0.55) PTGER1
SCHEMBL3214911 0.71 ERAP1 (0.43) CYP1A1CYP1A2CYP1B1PTGER1
SCHEMBL12278688 0.69 CYP1A2 (0.62) CCR1CCR5CCR8CYP1A1CYP1A2
SCHEMBL10363723 0.69 HDAC6 (0.44) CYP1A1CYP1A2CYP1B1PTGER1ALDH1A1
SCHEMBL3211865 0.68 SLC9A1 (0.34) PTGER1TP53MAPT

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 4 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
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 CCR1 929/4885CCR5 1994/4885CCR8 2216/4885

“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.