SCHEMBL10128615

SCHEMBL10128615

Brc1ccc(-c2nnc3c4ccccc4c(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cn23)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
MAPT P10636 3/20 0.34
KDM4E B2RXH2 2/20 0.34
GLA P06280 1/20 0.34
RECQL P46063 1/20 0.34
RXFP1 Q9HBX9 3/20 0.32
KMT2A Q03164 2/20 0.32
MAOB P27338 1/20 0.32
MEN1 O00255 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
GAA P10253 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
PDK2 Q15119 2/20 0.30

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
SCHEMBL10128620 0.94 RXFP1 (0.32) NPC1RAB9AMAPTKDM4EGLA
SCHEMBL10128614 0.89 MAPT (0.33) NPC1RAB9AMAPTKDM4EGLA
SCHEMBL10128810 0.89 RXFP1 (0.31) NPC1RAB9AMAPTRXFP1SMN1; SMN2
SCHEMBL10128356 0.85 KDM4E (0.32) KDM4E
SCHEMBL10128818 0.83 NPC1 (0.30) NPC1RAB9AMAPTRXFP1SMN1; SMN2
SCHEMBL10128021 0.81 ALOX5 (0.42)
SCHEMBL10128175 0.81 ALOX5 (0.42)
SCHEMBL10128596 0.80 SMN1; SMN2 (0.43) NPC1RAB9AMAPTKDM4EGLA
SCHEMBL10128604 0.80 MAPT (0.37) NPC1RAB9AMAPTKDM4EGLA
SCHEMBL10128608 0.80 SMN1; SMN2 (0.39) NPC1RAB9AMAPTKDM4EGLA

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 NPC1 3446/4885RAB9A 3001/4885MAPT 1271/4885

“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.