SCHEMBL10128604

SCHEMBL10128604

Brc1ccc(-c2nnc3c4ccccc4c(-c4ccc5ccccc5c4)cn23)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
RECQL P46063 1/20 0.37
CYP2A6 P11509 1/20 0.37
GSTP1 P09211 1/20 0.36
AKT1 P31749 1/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
HSD11B1 P28845 1/20 0.36
GAA P10253 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36

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
SCHEMBL10128612 0.95 MAPT (0.36) MAPTNPC1RAB9AKDM4EGLA
SCHEMBL10128803 0.87 GSTP1 (0.36) MAPTNPC1RAB9AKDM4EGSTP1
SCHEMBL10128596 0.85 SMN1; SMN2 (0.43) MAPTNPC1RAB9AKDM4EGLA
SCHEMBL10128608 0.85 SMN1; SMN2 (0.39) MAPTNPC1RAB9AKDM4EGLA
SCHEMBL10128610 0.85 HDAC8 (0.41) MAPTNPC1RAB9AKDM4EGLA
SCHEMBL10128605 0.84 ALDH1A1 (0.43) MAPTNPC1RAB9AKDM4EGLA
SCHEMBL10128597 0.83 NPC1 (0.38) MAPTNPC1RAB9AKDM4EGLA
SCHEMBL10128336 0.83 TUBB4A (0.42) KDM4EGSTP1AKT1HSD11B1TUBB4A
SCHEMBL10128621 0.83 RXFP1 (0.48) MAPTNPC1RAB9AKDM4EGLA
SCHEMBL10128811 0.82 MAPT (0.35) MAPTNPC1RAB9AKDM4EGSTP1

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 1271/4885NPC1 3446/4885RAB9A 3001/4885

“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.