SCHEMBL2108792

SCHEMBL2108792

COC(=O)c1cccc(-c2nc3c(CBr)cccc3o2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.52
GPR119 Q8TDV5 1/20 0.48
RAB9A P51151 5/20 0.46
NPC1 O15118 4/20 0.46
KDM4E B2RXH2 3/20 0.46
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 3/20 0.46
HSD17B10 Q99714 3/20 0.46
HPGD P15428 2/20 0.46
VDR P11473 2/20 0.46
USP2 O75604 2/20 0.44
POLB P06746 1/20 0.44
P2RY14 Q15391 2/20 0.42
HSPD1 P10809 1/20 0.42
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPN5 P54829 1/20 0.42
HSPE1 P61604 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL2110839 0.83 GPR119 (0.56) TOP2AGPR119RAB9ANPC1KDM4E
SCHEMBL2109256 0.81 ERN1 (0.53) TOP2AGPR119RAB9ANPC1KDM4E
SCHEMBL28605620 0.78 KDM4E (0.74) GPR119RAB9ANPC1KDM4EMAPT
SCHEMBL31247990 0.78 KDM4E (0.74) GPR119RAB9ANPC1KDM4EMAPT
SCHEMBL12754449 0.76 GPR119 (0.53) TOP2AGPR119RAB9ANPC1KDM4E
SCHEMBL10852711 0.76 SMN1; SMN2 (0.46) TOP2ARAB9ANPC1KDM4EMAPT
SCHEMBL205455 0.74 TOP2A (0.66) TOP2ARAB9ANPC1KDM4EMAPT
SCHEMBL4885296 0.74 HDAC6 (0.61) GPR119RAB9ANPC1KDM4EMAPT
SCHEMBL4878083 0.73 MAPT (0.76) GPR119RAB9ANPC1KDM4EMAPT
SCHEMBL7434524 0.73 TOP2A (0.88) TOP2ARAB9ANPC1KDM4EMAPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130345220-A1 COMPOUNDS AND COMPOSITIONS AS LXR MODULATORS IRM LLC (BM) 2013-12-26 US disclosed
US-8569345-B2 Compounds and compositions as LXR modulators MOLTENI VALENTINA (US) 2013-10-29 US disclosed
US-20120214812-A1 COMPOUNDS AND COMPOSITIONS AS LXR MODULATORS IRM LLC (BM) 2012-08-23 US disclosed
US-8158662-B2 Compounds and compositions as LXR modulators HAMILTON (BM) 2012-04-17 US disclosed
US-20090325981-A1 Compounds and compositions as lxr modulators IRM LLC (BM) 2009-12-31 US disclosed
EP-1713799-A2 COMPOUNDS AND COMPOSITIONS AS LXR MODULATORS IRM, LLC (BM) 2006-10-25 EP disclosed
WO-2005077124-A2 COMPOUNDS AND COMPOSITIONS AS LXR MODULATORS IRM LLC (BM) 2005-08-25 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 (3 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-20130345220-A1 COMPOUNDS AND COMPOSITIONS AS LXR MODULATORS NR1H2, NR1H3, NR1H4 TOP2A 2279/4885GPR119 28/4885RAB9A 2722/4885
US-20090325981-A1 Compounds and compositions as lxr modulators NR1H2, NR1H3, NR1H4 TOP2A 2279/4885GPR119 28/4885RAB9A 2722/4885
US-20120214812-A1 COMPOUNDS AND COMPOSITIONS AS LXR MODULATORS NR1H2, NR1H3, NR1H4 TOP2A 2279/4885GPR119 28/4885RAB9A 2722/4885

“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.