SCHEMBL4881223

SCHEMBL4881223

CCOC(=O)c1cc(NC(C)=O)cc(-c2ncccc2Br)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
ALDH1A1 P00352 3/20 0.49
KMT2A Q03164 5/20 0.44
SMN1; SMN2 Q16637 5/20 0.43
LMNA P02545 1/20 0.43
RAB9A P51151 5/20 0.43
NPC1 O15118 5/20 0.43
POLB P06746 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.41
RGS12 O14924 1/20 0.41
MEN1 O00255 3/20 0.41
PPIA P62937 1/20 0.41
BRD4 O60885 1/20 0.40
HTT P42858 2/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TTK P33981 1/20 0.39
MAPK8 P45983 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
SCHEMBL4887331 0.78 ALDH1A1 (0.52) MAPTALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL7808621 0.70 SMN1; SMN2 (0.70) MAPTALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL8036269 0.70 KDM4E (0.56) MAPTALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL4883025 0.69 KDM4E (0.51) MAPTALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL16237821 0.68 TP53 (0.49) MAPTALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL4036100 0.68 CA12 (0.46) MAPTALDH1A1KMT2ASMN1; SMN2RAB9A
SCHEMBL1982592 0.68 MEN1 (0.47) MAPTALDH1A1KMT2ASMN1; SMN2RAB9A
SCHEMBL6759202 0.67 BRD4 (0.60) MAPTALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL4289783 0.67 HPGD (0.71) MAPTALDH1A1KMT2ASMN1; SMN2RAB9A
SCHEMBL19357007 0.67 CYP1A2 (0.44) MAPTALDH1A1SMN1; SMN2RAB9ANPC1

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 1 patent. 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

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 MAPT 3154/4885ALDH1A1 1283/4885KMT2A 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.