SCHEMBL10128221

SCHEMBL10128221

Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2nnc3c4ccccc4ccn23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
MAPT P10636 4/20 0.41
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 2/20 0.38
RXFP1 Q9HBX9 5/20 0.36
HSD11B1 P28845 1/20 0.36
THRB P10828 1/20 0.35
MEN1 O00255 1/20 0.34
NR1I2 O75469 1/20 0.34
AHR P35869 1/20 0.34
MAOA P21397 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 1/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL10128220 0.98 ALDH1A1 (0.40) ALDH1A1MAPTKMT2AKDM4ERXFP1
SCHEMBL10128268 0.93 ALDH1A1 (0.42) ALDH1A1MAPTKMT2AKDM4ERXFP1
SCHEMBL10128223 0.91 ALDH1A1 (0.41) ALDH1A1MAPTKMT2AKDM4ERXFP1
SCHEMBL10128294 0.91 ALDH1A1 (0.37) ALDH1A1MAPTKDM4ERXFP1HSD11B1
SCHEMBL10148967 0.89 MAPT (0.37) ALDH1A1MAPTKMT2AKDM4ERXFP1
SCHEMBL10128270 0.89 MAPT (0.36) ALDH1A1MAPTKMT2AKDM4ERXFP1
SCHEMBL10128242 0.88 HSD11B1 (0.38) ALDH1A1MAPTKMT2AKDM4ERXFP1
SCHEMBL10128252 0.88 HSD11B1 (0.38) ALDH1A1MAPTKMT2AKDM4ERXFP1
SCHEMBL516234 0.88 KDM4E (0.41) ALDH1A1MAPTKMT2AKDM4ERXFP1
SCHEMBL10128239 0.88 MAPT (0.39) ALDH1A1MAPTKMT2AKDM4ERXFP1

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 ALDH1A1 1032/4885MAPT 1271/4885KMT2A 1074/4885

“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.