SCHEMBL10128811

SCHEMBL10128811

Ic1ccc(-c2nnc3c4ccccc4c(-c4ccc(-c5ccc6ccccc6c5)cc4)cn23)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
AKT1 P31749 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
HSD11B1 P28845 1/20 0.34
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34
TUBB2A Q13885 1/20 0.34
TUBB8 Q3ZCM7 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
SCHEMBL10128803 0.95 GSTP1 (0.36) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL10128612 0.88 MAPT (0.36) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL10128799 0.87 NPC1 (0.42) MAPTSMN1; SMN2NPC1RAB9APOLB
SCHEMBL10128781 0.86 NPC1 (0.43) MAPTSMN1; SMN2NPC1RAB9APOLB
SCHEMBL10128801 0.85 TSHR (0.39) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL10128806 0.85 ENPP3 (0.39) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL10128348 0.84 TUBB4A (0.41) KDM4EAKT1ESR1ESR2HSD11B1
SCHEMBL10128819 0.83 RXFP1 (0.48) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL10128604 0.82 MAPT (0.37) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL10128785 0.81 MAPT (0.36) MAPTSMN1; SMN2NPC1RAB9AALDH1A1

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 MAPT 1271/4885SMN1; SMN2 4667/4885NPC1 3446/4885

“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.