SCHEMBL10128320

SCHEMBL10128320

c1ccc(-c2cccc3c2ccn2c(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)nnc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 1/20 0.37
TSHR P16473 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
AVPR1A P37288 1/20 0.37
THRB P10828 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
MAPT P10636 1/20 0.36
HTR6 P50406 1/20 0.35
POLB P06746 2/20 0.35
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 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
SCHEMBL10128287 0.86 KDM4E (0.38) HSD11B1KDM4EATML3MBTL1NPC1
SCHEMBL10128318 0.86 KDM4E (0.44) KDM4EATML3MBTL1NPC1TSHR
SCHEMBL10128328 0.85 KDM4E (0.41) HSD11B1KDM4EATML3MBTL1NPC1
SCHEMBL10128345 0.85 KDM4E (0.42) KDM4EATML3MBTL1NPC1TSHR
SCHEMBL10128347 0.83 TUBB4A (0.41) KDM4EATML3MBTL1SMN1; SMN2AVPR1A
SCHEMBL10128782 0.82 TSHR (0.40) HSD11B1KDM4ENPC1TSHRRAB9A
SCHEMBL10128601 0.82 NPC1 (0.40) HSD11B1KDM4ENPC1TSHRRAB9A
SCHEMBL516234 0.82 KDM4E (0.41) KDM4EATML3MBTL1RAB9ASMN1; SMN2
SCHEMBL10128199 0.81 KDM4E (0.40) KDM4EATML3MBTL1RAB9ASMN1; SMN2
SCHEMBL10128335 0.81 KDM4E (0.39) HSD11B1KDM4EATML3MBTL1NPC1

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 HSD11B1 3797/4885KDM4E 2008/4885ATM 2987/4885

“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.