SCHEMBL9280909

SCHEMBL9280909

COc1cc(C(=O)O)c2c(c1)c(C(C)C)cn2C

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 10/20 0.40
MTNR1B P49286 10/20 0.40
CDC25B P30305 1/20 0.37
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 4/20 0.37
HPGD P15428 3/20 0.37
HSD17B10 Q99714 3/20 0.37
POLB P06746 3/20 0.37
TSHR P16473 2/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL23809470 0.83 KDM4E (0.39) MTNR1AMTNR1BKDM4EALDH1A1HPGD
SCHEMBL9887626 0.82 MTNR1A (0.46) MTNR1AMTNR1BCDC25BKDM4EALDH1A1
SCHEMBL9284570 0.80 AKR1C3 (0.37) KDM4EHSD17B10
SCHEMBL9281540 0.77 LMNA (0.39) ALDH1A1LMNATDP1
SCHEMBL9287953 0.76 KDM4E (0.35) KDM4EALDH1A1HPGDPOLBMAPT
SCHEMBL23809338 0.74 FABP4 (0.40) CDC25BKDM4EPOLB
SCHEMBL9281396 0.72 KMO (0.39) KDM4EALDH1A1HPGDPOLBMAPT
SCHEMBL9281286 0.72 EZH2 (0.50)
SCHEMBL9284271 0.71 NR4A2 (0.38) ALDH1A1TSHRMAPTGAAL3MBTL1
SCHEMBL4404238 0.71 THRA (0.47) CDC25BKDM4EALDH1A1HPGDHSD17B10

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 MTNR1A 32/4885MTNR1B 76/4885CDC25B 269/4885

“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.