SCHEMBL10128045

SCHEMBL10128045

c1ccc(-c2cccc3c2oc2ccccc23)c(-c2ccc(-c3nnc4c5ccccc5ccn34)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.40
PRKDC P78527 6/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CB P42338 1/20 0.38
ADK P55263 1/20 0.34
ALDH1A1 P00352 4/20 0.33
MAPT P10636 3/20 0.33
KDM4E B2RXH2 3/20 0.33
HSD17B10 Q99714 3/20 0.33
HPGD P15428 2/20 0.33
ENPP3 O14638 1/20 0.33
ENPP1 P22413 1/20 0.33
GAA P10253 1/20 0.33
PTGES2 Q9H7Z7 1/20 0.31
ATM Q13315 2/20 0.31
GGPS1 O95749 1/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
DRD4 P21917 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL10128029 0.95 ALOX5 (0.44) ALOX5PRKDCPIK3CDPIK3CBADK
SCHEMBL10128044 0.94 ALOX5 (0.43) ALOX5PRKDCPIK3CDPIK3CBADK
SCHEMBL10128049 0.93 ALOX5 (0.41) ALOX5PRKDCPIK3CDPIK3CBADK
SCHEMBL10128047 0.93 ALOX5 (0.41) ALOX5PRKDCPIK3CDPIK3CBADK
SCHEMBL10128039 0.89 ALOX5 (0.41) ALOX5PRKDCPIK3CDPIK3CBADK
SCHEMBL10128046 0.88 ALOX5 (0.46) ALOX5PRKDCPIK3CDPIK3CBALDH1A1
SCHEMBL10128035 0.87 ALOX5 (0.43) ALOX5PRKDCPIK3CDPIK3CBADK
SCHEMBL10128032 0.87 ALOX5 (0.45) ALOX5PRKDCPIK3CDPIK3CBADK
SCHEMBL10128088 0.86 PRKDC (0.37) PRKDCPIK3CDPIK3CBALDH1A1MAPT
SCHEMBL10128036 0.86 ALOX5 (0.46) ALOX5PRKDCPIK3CDPIK3CBALDH1A1

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-9034486-B2 Triazole derivative, heterocyclic compound, light-emitting element, light-emitting device, electronic device and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD (JP) 2015-05-19 US disclosed
US-9034486-B2 Triazole derivative, heterocyclic compound, light-emitting element, light-emitting device, electronic device and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD (JP) 2015-05-19 US disclosed
WO-2012017842-A1 TRIAZOLE DERIVATIVE, HETEROCYCLIC COMPOUND, LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, ELECTRONIC DEVICE AND LIGHTING DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-02-09 WO disclosed
US-20120025697-A1 Triazole Derivative, Heterocyclic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-02-02 US disclosed
US-20120025697-A1 Triazole Derivative, Heterocyclic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-02-02 US 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-20120025697-A1 Triazole Derivative, Heterocyclic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device and Lighting Device HTR3D, KCNQ4, KCNQ3 ALOX5 1457/4885PRKDC 2900/4885PIK3CD 3364/4885

“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.