SCHEMBL10128359

SCHEMBL10128359

CC(C)(C)c1ccc(-c2cn3c(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)nnc3c3ccccc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
ADORA2A P29274 1/20 0.37
OPRD1 P41143 3/20 0.35
AKT1 P31749 2/20 0.35
OPRM1 P35372 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TP53 P04637 1/20 0.34
PPARG P37231 3/20 0.34
NR1H4 Q96RI1 1/20 0.34

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
SCHEMBL10128368 0.88 RXFP1 (0.44) ALDH1A1MAPTNPSR1KDM4EMEN1
SCHEMBL10128318 0.88 KDM4E (0.44) MAPTKDM4EKMT2AATML3MBTL1
SCHEMBL10128345 0.87 KDM4E (0.42) MAPTKDM4EMEN1KMT2AATM
SCHEMBL10128317 0.85 KDM4E (0.37) ALDH1A1MAPTMAPK1NPSR1KDM4E
SCHEMBL10128821 0.83 RXFP1 (0.36) ALDH1A1MAPTMAPK1NPSR1RXRA
SCHEMBL10128622 0.83 RXFP1 (0.36) ALDH1A1MAPTNPSR1RXRARXRB
SCHEMBL10128280 0.83 KDM4E (0.42) ALDH1A1MAPTNPSR1KDM4ELMNA
SCHEMBL10128347 0.83 TUBB4A (0.41) ALDH1A1MAPTNPSR1KDM4EATM
SCHEMBL17614672 0.83 ALDH1A1 (0.47) ALDH1A1MAPTMAPK1NPSR1RXRA
SCHEMBL10128328 0.82 KDM4E (0.41) MAPTKDM4EKMT2AATML3MBTL1

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 ALDH1A1 1032/4885MAPT 1271/4885MAPK1 2299/4885

“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.