SCHEMBL10127428

SCHEMBL10127428

Cc1ccc2c3ccccc3n3c(-c4ccc(-c5cccc6c5sc5ccccc56)cc4)nnc3c2c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.42
POLB P06746 3/20 0.41
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PRKDC P78527 4/20 0.36
PARP14 Q460N5 1/20 0.35
MAPT P10636 4/20 0.34
FLT3 P36888 1/20 0.33
RXFP1 Q9HBX9 2/20 0.33
TP53 P04637 1/20 0.32
MAPK9 P45984 1/20 0.32
MAPK14 Q16539 1/20 0.32
TNKS O95271 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL10127426 0.93 ALOX5 (0.43) ALOX5POLBHPGDKDM4EALDH1A1
SCHEMBL515618 0.90 POLB (0.46) ALOX5POLBHPGDKDM4EALDH1A1
SCHEMBL10127459 0.90 POLB (0.43) ALOX5POLBHPGDKDM4EALDH1A1
SCHEMBL10127327 0.89 POLB (0.46) ALOX5POLBHPGDKDM4EALDH1A1
SCHEMBL10127491 0.87 ALOX5 (0.41) ALOX5POLBHPGDKDM4EALDH1A1
SCHEMBL10127328 0.86 POLB (0.45) ALOX5POLBHPGDKDM4EALDH1A1
SCHEMBL10127329 0.85 POLB (0.47) ALOX5POLBHPGDKDM4EALDH1A1
SCHEMBL10127344 0.84 POLB (0.44) POLBHPGDKDM4EALDH1A1MAPT
SCHEMBL10127427 0.84 ALOX5 (0.42) ALOX5POLBHPGDKDM4EALDH1A1
SCHEMBL515047 0.84 POLB (0.53) ALOX5POLBHPGDKDM4EALDH1A1

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 ALOX5 1457/4885POLB 3317/4885HPGD 1148/4885

“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.