SCHEMBL10128131

SCHEMBL10128131

Cc1cn2c(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)nnc2c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.45
GGPS1 O95749 1/20 0.37
PRKDC P78527 5/20 0.37
MAPT P10636 4/20 0.36
TP53 P04637 2/20 0.36
POLB P06746 2/20 0.36
PIK3CD O00329 1/20 0.35
PIK3CB P42338 1/20 0.35
PTGES2 Q9H7Z7 1/20 0.35
RXFP1 Q9HBX9 2/20 0.34
NPC1 O15118 2/20 0.34
TSHR P16473 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
THRB P10828 1/20 0.33
ADK P55263 1/20 0.33
ATM Q13315 1/20 0.33
DRD4 P21917 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL10128192 0.91 ALOX5 (0.43) ALOX5GGPS1PRKDCMAPTTP53
SCHEMBL10128155 0.91 ALOX5 (0.45) ALOX5GGPS1PRKDCMAPTTP53
SCHEMBL10128135 0.90 ALOX5 (0.43) ALOX5GGPS1PRKDCMAPTTP53
SCHEMBL10128170 0.89 ALOX5 (0.44) ALOX5GGPS1PRKDCMAPTTP53
SCHEMBL10128166 0.88 ALOX5 (0.43) ALOX5GGPS1PRKDCMAPTPIK3CD
SCHEMBL10128190 0.88 ALOX5 (0.42) ALOX5GGPS1PRKDCMAPTTP53
SCHEMBL10128138 0.88 ALOX5 (0.41) ALOX5GGPS1PRKDCMAPTPIK3CD
SCHEMBL10128152 0.88 ALOX5 (0.41) ALOX5GGPS1PRKDCMAPTTP53
SCHEMBL10128139 0.88 ALOX5 (0.41) ALOX5GGPS1PRKDCMAPTTP53
SCHEMBL10128177 0.87 ALOX5 (0.43) ALOX5GGPS1PRKDCMAPTPIK3CD

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 1457/4885GGPS1 3000/4885PRKDC 2900/4885

“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.