SCHEMBL5733129

SCHEMBL5733129

COc1cccc2c1C(=C(C)C)C(=O)N2

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 7/20 0.45
BRD2 P25440 1/20 0.45
TGM2 P21980 3/20 0.45
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
NPC1 O15118 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CHEK1 O14757 2/20 0.40
TOP1 P11387 1/20 0.40
EGFR P00533 1/20 0.40
PIM1 P11309 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
SCHEMBL281586 0.80 CES1 (0.55) TGM2CA1CA2CA7CA9
SCHEMBL30397534 0.80 CES1 (0.55) TGM2CA1CA2CA7CA9
SCHEMBL12220595 0.73 ACVR1 (0.50) BRD4BRD2TGM2TDP1CHEK1
SCHEMBL21623878 0.73 KMT2A (0.45) TGM2CA1CA2CA7CA9
SCHEMBL21623877 0.73 KMT2A (0.45) TGM2CA1CA2CA7CA9
SCHEMBL8878421 0.72 L3MBTL1 (0.53) TGM2NPC1TDP1KMT2AMEN1
SCHEMBL7304930 0.68 IDO1 (0.57) BRD4BRD2TGM2NPC1TDP1
SCHEMBL30681308 0.68 IDO1 (0.57) BRD4BRD2TGM2NPC1TDP1
SCHEMBL17950677 0.68 TOP1 (0.43) TGM2CA1CA2CA7CA9
SCHEMBL8879202 0.68 KMT2A (0.51) TGM2CA1CA2CA7CA9

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-7122680-B2 3-Substituted oxindole β3 agonsists ELI LILLY AND COMPANY (US) 2006-10-17 US disclosed
EP-1341759-B1 3-SUBSTITUTED OXINDOLE BETA 3 AGONISTS LILLY CO ELI (US) 2006-06-14 EP disclosed
US-20050054713-A1 3-Substituted oxindole beta3 agonists JESUDASON CYNTHIA DARSHINI (US) 2005-03-10 US disclosed
US-6825220-B2 INVOLVES THE RELATIONSHIP BETWEEN ADRENERGIC RECEPTOR STIMULATION AND ANTI-HYPERGLYCEMIC EFFECTS ELI LILLY AND COMPANY 2004-11-30 US disclosed
US-20040097532-A1 3-Substituted oxindole beta 3 agonists ELI LILLY AND COMPANY 2004-05-20 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 (2 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-20050054713-A1 3-Substituted oxindole beta3 agonists ADRB3, ADRB2, ADRB1 BRD4 1073/4885BRD2 795/4885TGM2 4152/4885
US-20040097532-A1 3-Substituted oxindole beta 3 agonists ADRB3, ADRB2, ADRB1 BRD4 1346/4885BRD2 987/4885TGM2 4245/4885

“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.