SCHEMBL10128073

SCHEMBL10128073

CCCc1ccc2oc3c(-c4ccc(-c5nnc6c7ccccc7ccn56)cc4)cc(CCC)cc3c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.33
NPC1 O15118 2/20 0.33
KMT2A Q03164 1/20 0.33
PTAFR P25105 1/20 0.33
SIRT2 Q8IXJ6 3/20 0.32
SIRT1 Q96EB6 3/20 0.32
PDE10A Q9Y233 2/20 0.32
ALDH1A1 P00352 3/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
KDM4E B2RXH2 2/20 0.31
HSD17B10 Q99714 2/20 0.31
HSD11B1 P28845 2/20 0.31
MAPT P10636 2/20 0.31
CXCR4 P61073 1/20 0.31
CMKLR1 Q99788 1/20 0.31
ALKBH5 Q6P6C2 1/20 0.31
HCRTR1 O43613 1/20 0.31
TP53 P04637 1/20 0.31
ALOX15 P16050 1/20 0.31
MAPK1 P28482 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
SCHEMBL10128078 0.95 HSD11B1 (0.38) PTAFRSIRT2SIRT1HSD11B1CXCR4
SCHEMBL10128074 0.91 MAPT (0.34) RAB9ANPC1KMT2ASIRT2SIRT1
SCHEMBL16715964 0.89
SCHEMBL10148819 0.87 MAPT (0.34) RAB9AKMT2ASIRT2SIRT1ALDH1A1
SCHEMBL10128081 0.86 IKBKE (0.31) RAB9AALDH1A1SMN1; SMN2KDM4EHSD17B10
SCHEMBL10128065 0.83 MAPT (0.38) RAB9ANPC1KMT2ASIRT2SIRT1
SCHEMBL10128098 0.82 MAPT (0.34) RAB9ANPC1KMT2ASIRT2SIRT1
SCHEMBL10128111 0.81 MAPT (0.33) RAB9ANPC1KMT2ASIRT2SIRT1
SCHEMBL10128115 0.81 MAPT (0.39) KMT2ASIRT2SIRT1ALDH1A1SMN1; SMN2
SCHEMBL10128083 0.81 PIM1 (0.36) NPC1KMT2ASIRT2SIRT1ALDH1A1

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 3 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
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

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 RAB9A 3001/4885NPC1 3446/4885KMT2A 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.