SCHEMBL3307205

SCHEMBL3307205

COC(=O)c1ccc(-c2cc3cc(OC)ccc3n2C(=O)OC(C)(C)C)nc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 10/20 0.49
L3MBTL1 Q9Y468 1/20 0.42
ATR Q13535 1/20 0.42
ATRIP Q8WXE1 1/20 0.42
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
TRPV3 Q8NET8 1/20 0.39
HPGDS O60760 1/20 0.38
APP P05067 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
TUBB1 Q9H4B7 1/20 0.37

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
SCHEMBL4554042 0.86 L3MBTL1 (0.46) L3MBTL1AKR1C3AKR1C2CYP11B1CYP11B2
SCHEMBL19013605 0.78 L3MBTL1 (0.60) NR1H2L3MBTL1ATRATRIPAKR1C3
SCHEMBL29631943 0.78 L3MBTL1 (0.60) NR1H2L3MBTL1ATRATRIPAKR1C3
SCHEMBL30077038 0.76 NR1H2 (0.49) NR1H2ATRATRIPAKR1C3AKR1C2
SCHEMBL3301415 0.76 NR1H2 (0.53) NR1H2ATRATRIPAPP
SCHEMBL424044 0.76 MAPK1 (0.42) L3MBTL1HPGDS
SCHEMBL2934932 0.75 NR1H2 (0.44) NR1H2TRPV3
SCHEMBL12100103 0.74 NR1H2 (0.43) NR1H2L3MBTL1ATRATRIPAKR1C3
SCHEMBL12685165 0.73 AKR1C3 (0.57) NR1H2L3MBTL1ATRATRIPAKR1C3
SCHEMBL18335203 0.73 NR1H2 (0.40) NR1H2L3MBTL1ATRATRIP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100098631-A1 Novel-2-Heteroaryl Substituted Indoles 695 ASTRAZENECA AB (SE) 2010-04-22 US disclosed
US-20100098631-A1 Novel-2-Heteroaryl Substituted Indoles 695 ASTRAZENECA AB (SE) 2010-04-22 US disclosed
US-20100098631-A1 Novel-2-Heteroaryl Substituted Indoles 695 ASTRAZENECA AB (SE) 2010-04-22 US disclosed
EP-2121655-A1 NOVEL 2-HETEROARYL SUBSTITUTED INDOLES 695 AstraZeneca AB (SE) 2009-11-25 EP disclosed
WO-2008108729-A1 NOVEL 2-HETEROARYL SUBSTITUTED INDOLES 695 ASTRAZENECA AB (SE) 2008-09-12 WO disclosed
WO-2008108729-A1 NOVEL 2-HETEROARYL SUBSTITUTED INDOLES 695 ASTRAZENECA AB (SE) 2008-09-12 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-20100098631-A1 Novel-2-Heteroaryl Substituted Indoles 695 APP, IDO2, IDO1 NR1H2 1715/4885L3MBTL1 4571/4885ATR 3026/4885

“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.