SCHEMBL4883544

SCHEMBL4883544

CCOC(=O)c1cccc(-c2ccncc2Br)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
HPGD P15428 3/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
DGAT2 Q96PD7 1/20 0.48
IMPDH2 P12268 1/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
UBE2N P61088 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46
JMJD6 Q6NYC1 1/20 0.46
NAMPT P43490 1/20 0.46

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
SCHEMBL5096355 0.83 TP53 (0.51) SMN1; SMN2HPGDNPC1RAB9AALDH1A1
SCHEMBL17399043 0.81 TP53 (0.49) HPGDTP53POLB
SCHEMBL28433847 0.81 KMT2A (0.46) SMN1; SMN2HPGDNPC1RAB9ADGAT2
SCHEMBL2265211 0.80 IMPDH2 (0.57) HPGDIMPDH2TP53POLBNAMPT
SCHEMBL4887331 0.79 ALDH1A1 (0.52) SMN1; SMN2HPGDNPC1RAB9AIMPDH2
SCHEMBL13830587 0.79 TP53 (0.50) SMN1; SMN2HPGDNPC1RAB9AALDH1A1
SCHEMBL29617015 0.78 TP53 (0.62) SMN1; SMN2HPGDNPC1RAB9AALDH1A1
SCHEMBL4193217 0.76 TP53 (0.61) HPGDTP53POLB
SCHEMBL14028923 0.76 PTGER1 (0.47) SMN1; SMN2HPGDNPC1RAB9ADGAT2
SCHEMBL6225292 0.76 KDM4E (0.57) HPGDKDM4ELMNATP53POLB

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-20080275053-A1 Selective modulators of prostaglandin E2 at EP1 receptors; analgesics, antiinflammatory agents; neurodegenerative diseases, bone or renal disorders; 3-{1-[2-(benzyloxy)-phenyl]-5-methyl-1H-pyrrol-2-yl}-benzoic acid GLAXOSMITHKLINE 2008-11-06 US disclosed
US-20080275053-A1 Selective modulators of prostaglandin E2 at EP1 receptors; analgesics, antiinflammatory agents; neurodegenerative diseases, bone or renal disorders; 3-{1-[2-(benzyloxy)-phenyl]-5-methyl-1H-pyrrol-2-yl}-benzoic acid GLAXOSMITHKLINE 2008-11-06 US disclosed
US-20080275053-A1 Selective modulators of prostaglandin E2 at EP1 receptors; analgesics, antiinflammatory agents; neurodegenerative diseases, bone or renal disorders; 3-{1-[2-(benzyloxy)-phenyl]-5-methyl-1H-pyrrol-2-yl}-benzoic acid GLAXOSMITHKLINE 2008-11-06 US disclosed
EP-1670756-A1 HETEROCYCLYL COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-06-21 EP disclosed
WO-2005037786-A1 HETEROCYCLYL COMPOUNDS GLAXO GROUP LIMITED (GB) 2005-04-28 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-20080275053-A1 Selective modulators of prostaglandin E2 at EP1 receptors; analgesics, antiinflammatory agents; neurodegenerative diseases, bone or renal disorders; 3-{1-[2-(benzyloxy)-phenyl]-5-methyl-1H-pyrrol-2-yl}-benzoic acid PTGER1, PTGER2, PTGDR SMN1; SMN2 674/4885HPGD 87/4885NPC1 3283/4885

“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.