SCHEMBL1096244

SCHEMBL1096244

COC(=O)c1cn(C)c2cc(N3CCC(O)CC3)ccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 9/20 0.51
LMNA P02545 2/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 2/20 0.43
HPGD P15428 1/20 0.43
RECQL P46063 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 2/20 0.43
SIRT6 Q8N6T7 1/20 0.42
BRD4 O60885 1/20 0.41
GPBAR1 Q8TDU6 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
USP2 O75604 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
EGFR P00533 1/20 0.40
PRPS1 P60891 2/20 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
SCHEMBL22790129 0.88 NR4A2 (0.49) NR4A2LMNAMEN1ALDH1A1KMT2A
SCHEMBL22790131 0.86 SIRT6 (0.56) NR4A2LMNAMEN1ALDH1A1KMT2A
SCHEMBL22790260 0.85 NR4A2 (0.46) NR4A2LMNAMEN1ALDH1A1KMT2A
SCHEMBL22790093 0.84 NR4A2 (0.52) NR4A2LMNAMEN1ALDH1A1KMT2A
SCHEMBL22789977 0.82 SUV39H2 (0.45) NR4A2
SCHEMBL22789978 0.81 NR4A2 (0.41) NR4A2LMNAMEN1ALDH1A1KMT2A
SCHEMBL22790352 0.81 NR4A2 (0.48) NR4A2LMNAMEN1ALDH1A1KMT2A
SCHEMBL22790270 0.80 NR4A2 (0.50) NR4A2LMNAMEN1ALDH1A1KMT2A
SCHEMBL22790174 0.80 NR4A2 (0.47) NR4A2LMNAMEN1ALDH1A1KMT2A
SCHEMBL1096569 0.80 NR4A2 (0.52) NR4A2LMNAMEN1ALDH1A1KMT2A

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-8153624-B2 Compounds and methods for modulating FXR ELI LILLY AND COMPANY (US) 2012-04-10 US disclosed
EP-2178851-B1 COMPOUNDS AND METHODS FOR MODULATING FXR LILLY CO ELI (US) 2011-12-28 EP disclosed
US-20100152166-A1 COMPOUNDS AND METHODS FOR MODULATING FXR ELI LILLY AND COMPANY (US) 2010-06-17 US disclosed
EP-2178851-A1 COMPOUNDS AND METHODS FOR MODULATING FXR Eli Lilly & Company (US) 2010-04-28 EP disclosed
WO-2009012125-A1 COMPOUNDS AND METHODS FOR MODULATING FXR ELI LILLY AND COMPANY (US) 2009-01-22 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-20100152166-A1 COMPOUNDS AND METHODS FOR MODULATING FXR NR1H4, FXR1, SLC10A1 NR4A2 570/4885LMNA 2630/4885MEN1 3998/4885

“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.