SCHEMBL10128025

SCHEMBL10128025

CC(C)(C)c1ccc(-c2cn3c(-c4ccc(-c5cccc6c5sc5ccccc56)cc4)nnc3c3ccccc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.40
TNKS O95271 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
ALDH1A1 P00352 4/20 0.37
HIF1A Q16665 1/20 0.37
PARP14 Q460N5 1/20 0.36
HTT P42858 1/20 0.35
PAX8 Q06710 1/20 0.35
TNF P01375 1/20 0.34
NOD1 Q9Y239 1/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
MAPT P10636 2/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
AKT1 P31749 1/20 0.33
PRKDC P78527 2/20 0.32
RECQL P46063 1/20 0.32
RXRA P19793 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
SCHEMBL10127998 0.89 ALOX5 (0.42) ALOX5TNKSTNKS2ALDH1A1HIF1A
SCHEMBL10128026 0.89 ALOX5 (0.43) ALOX5TNKSTNKS2ALDH1A1PARP14
SCHEMBL10128000 0.89 ALOX5 (0.45) ALOX5PARP14HTTPAX8MAPT
SCHEMBL10128013 0.88 ALOX5 (0.44) ALOX5PARP14HTTPAX8MAPT
SCHEMBL10127977 0.87 ALOX5 (0.45) ALOX5ALDH1A1PARP14HTTPAX8
SCHEMBL10128015 0.86 ALOX5 (0.43) ALOX5ALDH1A1PARP14HTTPAX8
SCHEMBL10128009 0.85 ALOX5 (0.43) ALOX5PARP14HTTPAX8MAPT
SCHEMBL10128012 0.84 ALOX5 (0.46) ALOX5TNKSTNKS2PARP14HTT
SCHEMBL10128010 0.84 ALOX5 (0.43) ALOX5ALDH1A1PARP14HTTPAX8
SCHEMBL10128007 0.83 ALOX5 (0.46) ALOX5PARP14HTTPAX8MAPT

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 1457/4885TNKS 1422/4885TNKS2 2010/4885

“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.