SCHEMBL9284271

SCHEMBL9284271

COC(=O)c1cc(Br)cc2c(C(C)C)cn(C)c12

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 8/20 0.38
BRD4 O60885 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 2/20 0.34
TSHR P16473 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
KDR P35968 1/20 0.33
KMT2A Q03164 1/20 0.33
CHEK1 O14757 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL18083253 0.85 GABRA1 (0.36) BRD4L3MBTL1GABRA1GABRB1
SCHEMBL31022913 0.84 NR4A2 (0.43) NR4A2BRD4L3MBTL1MAPTGABRA1
SCHEMBL19100772 0.81 NR4A2 (0.43) NR4A2BRD4L3MBTL1MAPTTSHR
SCHEMBL9280870 0.81 MEN1 (0.38) NR4A2BRD4MAPTKDRKMT2A
SCHEMBL17802163 0.72 NR4A2 (0.49) NR4A2L3MBTL1MAPTGABRA1GABRB1
SCHEMBL19643769 0.72 NR4A2 (0.57) NR4A2BRD4L3MBTL1MAPTKMT2A
SCHEMBL9280909 0.71 MTNR1A (0.40) L3MBTL1MAPTTSHRALDH1A1GAA
SCHEMBL31023125 0.70 GABRA1 (0.40) L3MBTL1MAPTGABRA1GABRB1KMT2A
SCHEMBL30993091 0.70 CREBBP (0.43) NR4A2BRD4L3MBTL1MAPTGABRA1
SCHEMBL23809192 0.69 NR4A2 (0.56) NR4A2BRD4MAPTKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2646020-B1 INDOLES GLAXOSMITHKLINE LLC (US) 2016-09-21 EP disclosed
EP-2646020-B1 INDOLES GLAXOSMITHKLINE LLC (US) 2016-09-21 EP disclosed
US-8765792-B2 Indoles GLAXOSMITHKLINE LLC (US) 2014-07-01 US disclosed
US-8765792-B2 Indoles GLAXOSMITHKLINE LLC (US) 2014-07-01 US disclosed
US-8765792-B2 Indoles GLAXOSMITHKLINE LLC (US) 2014-07-01 US disclosed
EP-2646020-A1 INDOLES GlaxoSmithKline LLC (US) 2013-10-09 EP disclosed
US-20130245016-A1 INDOLES GLAXOSMITHKLINE LLC 2013-09-19 US disclosed
US-20130245016-A1 INDOLES GLAXOSMITHKLINE LLC 2013-09-19 US disclosed
US-20130245016-A1 INDOLES GLAXOSMITHKLINE LLC 2013-09-19 US disclosed
WO-2012075080-A1 INDOLES GLAXOSMITHKLINE LLC (US) 2012-06-07 WO disclosed
WO-2012075080-A1 INDOLES GLAXOSMITHKLINE LLC (US) 2012-06-07 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-20130245016-A1 INDOLES IDO1, IDO2, INMT NR4A2 2018/4885BRD4 190/4885L3MBTL1 3304/4885

“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.