SCHEMBL4887331

SCHEMBL4887331

CCOC(=O)c1cc(NC(C)=O)cc(-c2ccncc2Br)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
MAPT P10636 2/20 0.52
KMT2A Q03164 3/20 0.49
SMN1; SMN2 Q16637 4/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HPGD P15428 1/20 0.43
NAMPT P43490 3/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
MEN1 O00255 2/20 0.41
KDM4E B2RXH2 1/20 0.41
PRKCZ Q05513 1/20 0.40
IMPDH2 P12268 1/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40

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
SCHEMBL4883544 0.79 SMN1; SMN2 (0.49) ALDH1A1MAPTKMT2ASMN1; SMN2NPC1
SCHEMBL4881223 0.78 MAPT (0.49) ALDH1A1MAPTKMT2ASMN1; SMN2NPC1
SCHEMBL4884412 0.77 PTGER1 (0.56) ALDH1A1MAPTKMT2ARAB9ACYP3A4
SCHEMBL4882826 0.73 LRRK2 (0.48) CYP3A4
SCHEMBL8036269 0.70 KDM4E (0.56) ALDH1A1MAPTKMT2ASMN1; SMN2NPC1
SCHEMBL4883025 0.69 KDM4E (0.51) ALDH1A1MAPTKMT2ASMN1; SMN2RAB9A
SCHEMBL27185449 0.68 MAPT (0.46) ALDH1A1MAPTKMT2ASMN1; SMN2NPC1
SCHEMBL7808621 0.68 SMN1; SMN2 (0.70) ALDH1A1MAPTKMT2ASMN1; SMN2NPC1
SCHEMBL629401 0.67 TSHR (0.50) ALDH1A1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL4289783 0.67 HPGD (0.71) ALDH1A1MAPTKMT2ASMN1; SMN2NPC1

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 ALDH1A1 1283/4885MAPT 3154/4885KMT2A 1824/4885

“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.