SCHEMBL10127433

SCHEMBL10127433

CCCc1ccc2c(c1)c1ccccc1c1nnc(-c3ccc(-c4cccc5c4sc4ccccc45)cc3)n21

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.39
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.34
ATM Q13315 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RAB9A P51151 1/20 0.34
RORA P35398 1/20 0.33
RORC P51449 1/20 0.33
RORB Q92753 1/20 0.33
PARP14 Q460N5 1/20 0.33
MAPT P10636 2/20 0.32
PRKDC P78527 1/20 0.32
MAPK9 P45984 1/20 0.32
MAPK14 Q16539 1/20 0.32
HSD11B1 P28845 3/20 0.31
PGR P06401 1/20 0.31
PDE2A O00408 2/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL10127436 0.95 HSD11B1 (0.39) ALOX5POLBL3MBTL1ATMKDM4E
SCHEMBL10127430 0.93 ALOX5 (0.40) ALOX5POLBL3MBTL1ATMKDM4E
SCHEMBL10127444 0.88 ALOX5 (0.38) ALOX5POLBL3MBTL1ATMKDM4E
SCHEMBL10127426 0.86 ALOX5 (0.43) ALOX5POLBKDM4EALDH1A1RORA
SCHEMBL10127358 0.86 POLB (0.41) POLBALDH1A1MAPTHSD11B1PDE2A
SCHEMBL10127491 0.85 ALOX5 (0.41) ALOX5POLBKDM4EALDH1A1PARP14
SCHEMBL10127448 0.84 ALOX5 (0.43) ALOX5POLBKDM4EALDH1A1RAB9A
SCHEMBL515975 0.84 ALOX5 (0.43) ALOX5POLBKDM4EALDH1A1RAB9A
SCHEMBL10127464 0.84 ALOX5 (0.46) ALOX5POLBKDM4EALDH1A1RAB9A
SCHEMBL10128406 0.84 ALOX5 (0.43) ALOX5POLBKDM4EALDH1A1RAB9A

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 3317/4885L3MBTL1 443/4885

“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.