SCHEMBL10128313

SCHEMBL10128313

CCC(C)c1cn2c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nnc2c2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.36
HPGD P15428 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
RXFP1 Q9HBX9 3/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
TSHR P16473 1/20 0.33
MAPT P10636 3/20 0.32
THRB P10828 1/20 0.32
AVPR1A P37288 1/20 0.32
AKR1C4 P17516 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
AKR1C1 Q04828 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
UCHL3 P15374 1/20 0.32
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL10128299 0.90 KDM4E (0.37) SMN1; SMN2HPGDKDM4EATML3MBTL1
SCHEMBL10128582 0.83 RXFP1 (0.36) SMN1; SMN2KDM4ERXFP1NPC1RAB9A
SCHEMBL10128773 0.83 RXFP1 (0.36) SMN1; SMN2HPGDRXFP1NPC1RAB9A
SCHEMBL10128280 0.83 KDM4E (0.42) SMN1; SMN2HPGDKDM4EATML3MBTL1
SCHEMBL10128289 0.82 KDM4E (0.37) SMN1; SMN2HPGDKDM4EATML3MBTL1
SCHEMBL10128305 0.82 DRD1 (0.36) SMN1; SMN2KDM4EATML3MBTL1RXFP1
SCHEMBL10128296 0.81 KDM4E (0.36) SMN1; SMN2HPGDKDM4EATML3MBTL1
SCHEMBL10128368 0.79 RXFP1 (0.44) SMN1; SMN2HPGDKDM4EATML3MBTL1
SCHEMBL10128306 0.79 HSD11B1 (0.39) SMN1; SMN2HPGDKDM4EATML3MBTL1
SCHEMBL10128318 0.78 KDM4E (0.44) SMN1; SMN2KDM4EATML3MBTL1RXFP1

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 SMN1; SMN2 4667/4885HPGD 1148/4885KDM4E 2008/4885

“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.