SCHEMBL10128610

SCHEMBL10128610

Brc1ccc(-c2nnc3c4ccccc4c(-c4ccc(-c5cccc6ccccc56)cc4)cn23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
ENPP3 O14638 1/20 0.39
ENPP1 P22413 1/20 0.39
MAPT P10636 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
RECQL P46063 1/20 0.37
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
CYP1A2 P05177 1/20 0.36
GAA P10253 1/20 0.36
CYP2D6 P10635 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
SCHEMBL10128597 0.94 NPC1 (0.38) HDAC8HDAC6ENPP3ENPP1MAPT
SCHEMBL10128596 0.88 SMN1; SMN2 (0.43) MAPTNPC1RAB9AKDM4EGLA
SCHEMBL10128806 0.87 ENPP3 (0.39) HDAC8HDAC6ENPP3ENPP1MAPT
SCHEMBL10128605 0.87 ALDH1A1 (0.43) MAPTNPC1RAB9AKDM4EGLA
SCHEMBL10128621 0.85 RXFP1 (0.48) MAPTNPC1RAB9AKDM4EGLA
SCHEMBL10128612 0.85 MAPT (0.36) MAPTNPC1RAB9AKDM4EGLA
SCHEMBL10128604 0.85 MAPT (0.37) MAPTNPC1RAB9AKDM4EGLA
SCHEMBL10128603 0.84 SMN1; SMN2 (0.40) MAPTNPC1RAB9AKDM4EGLA
SCHEMBL10128347 0.83 TUBB4A (0.41) HDAC8HDAC6ENPP3ENPP1MAPT
SCHEMBL10128608 0.82 SMN1; SMN2 (0.39) MAPTNPC1RAB9AKDM4EGLA

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 HDAC8 1735/4885HDAC6 3012/4885ENPP3 3098/4885

“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.