SCHEMBL10128077

SCHEMBL10128077

CC(C)c1ccc2oc3c(-c4ccc(-c5nnc6c7ccccc7ccn56)cc4)cc(C(C)C)cc3c2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.32
PARP1 P09874 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
ALDH1A1 P00352 5/20 0.32
KDM4E B2RXH2 4/20 0.32
HSD17B10 Q99714 3/20 0.32
HPGD P15428 2/20 0.32
CASP1 P29466 2/20 0.32
CASP7 P55210 2/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
TBK1 Q9UHD2 3/20 0.32
MAPT P10636 5/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
ESR1 P03372 1/20 0.31
POLB P06746 1/20 0.31
GPR35 Q9HC97 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
SCHEMBL10128084 0.89 NPSR1 (0.31) ALDH1A1KDM4EHSD17B10HPGDCASP1
SCHEMBL10128065 0.84 MAPT (0.38) ALDH1A1KDM4EHSD17B10HPGDCASP1
SCHEMBL10128098 0.83 MAPT (0.34) ALDH1A1KDM4EHSD17B10HPGDCASP1
SCHEMBL10128115 0.83 MAPT (0.39) TNKSPARP1TNKS2PARP2ALDH1A1
SCHEMBL10128111 0.83 MAPT (0.33) ALDH1A1KDM4EHSD17B10HPGDCASP1
SCHEMBL10128081 0.83 IKBKE (0.31) ALDH1A1KDM4EHSD17B10HPGDCASP1
SCHEMBL10128083 0.82 PIM1 (0.36) ALDH1A1KDM4EHSD17B10HPGDCASP1
SCHEMBL10128099 0.82 PIM1 (0.36) ALDH1A1KDM4EHSD17B10HPGDCASP1
SCHEMBL10128101 0.82 ENPP3 (0.34) ALDH1A1KDM4EHSD17B10HPGDCASP1
SCHEMBL10128104 0.82 KDM4E (0.35) ALDH1A1KDM4EHSD17B10HPGDCASP1

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 TNKS 1422/4885PARP1 1441/4885TNKS2 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.