SCHEMBL3891191

SCHEMBL3891191

COC(=O)C1=C(C)N(Cc2cccc(OC)c2)C(=O)CC1c1ccc(C(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 10/20 0.55
KMT2A Q03164 4/20 0.48
MEN1 O00255 2/20 0.48
PAX8 Q06710 4/20 0.48
NTSR1 P30989 1/20 0.46
POLB P06746 1/20 0.44
LMNA P02545 1/20 0.44
RECQL P46063 1/20 0.44
NPBWR1 P48145 1/20 0.44
MCHR1 Q99705 1/20 0.44

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
SCHEMBL3895665 0.92 GPBAR1 (0.51) GPBAR1KMT2AMEN1PAX8LMNA
SCHEMBL3883418 0.81 GPBAR1 (0.58) GPBAR1KMT2APOLBLMNARECQL
SCHEMBL3884750 0.79 ROCK1 (0.60) GPBAR1PAX8
SCHEMBL4318459 0.79 GPBAR1 (0.56) GPBAR1KMT2APOLBLMNARECQL
SCHEMBL3892732 0.77 GPBAR1 (0.54) GPBAR1KMT2APOLBLMNARECQL
SCHEMBL3885330 0.76 GPBAR1 (0.72) GPBAR1KMT2AMEN1POLBLMNA
SCHEMBL30646811 0.72 CCR2 (0.46) KMT2AMEN1
SCHEMBL29617629 0.72 CCR2 (0.46) KMT2AMEN1
SCHEMBL17478079 0.71 GPBAR1 (1.00) GPBAR1
SCHEMBL3888040 0.69 GPBAR1 (0.51) GPBAR1KMT2APOLB

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-7592357-B2 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-09-22 US disclosed
EP-1718638-A4 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-04-22 EP disclosed
US-20080058384-A1 Novel Compounds GLAXOSMITHKLINE LLC 2008-03-06 US disclosed
EP-1718638-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-08 EP disclosed
WO-2005082890-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-09 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-20080058384-A1 Novel Compounds ARHGDIB, TNK2, ROCK2 GPBAR1 2826/4885KMT2A 3760/4885MEN1 4332/4885

“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.