SCHEMBL10128832

SCHEMBL10128832

CCc1nnc2c3ccccc3c3cc(Br)ccc3n12

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 1/20 0.46
TP53 P04637 1/20 0.43
HTR2C P28335 1/20 0.42
POLB P06746 1/20 0.41
MAPT P10636 2/20 0.40
TSPO P30536 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
SHMT2 P34897 1/20 0.38

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
SCHEMBL10128868 0.83 HTR2C (0.42) HTR2CMAPTKDM4EMEN1ALDH1A1
SCHEMBL10128829 0.81 POLB (0.44) TP53POLBMAPTTSPOKDM4E
SCHEMBL10128834 0.78 PDE4B (0.35) TP53POLBMAPTTSPOKDM4E
SCHEMBL10128833 0.78 TSPO (0.34) POLBMAPTTSPOMEN1ALDH1A1
SCHEMBL515190 0.76 POLB (0.50) POLBMAPTKDM4EMEN1ALDH1A1
SCHEMBL19344751 0.76 POLB (0.42) TP53POLBMAPTTSPO
SCHEMBL10128852 0.75 PDE2A (0.43) POLBTSPO
SCHEMBL10128481 0.75 POLB (0.44) KAT2BTP53POLBMAPTALDH1A1
SCHEMBL10128842 0.74 POLB (0.48) POLBMAPTKDM4EMEN1ALDH1A1
SCHEMBL10128851 0.73 POLB (0.44) POLBMAPTKDM4EMEN1ALDH1A1

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 KAT2B 2749/4885TP53 4442/4885HTR2C 26/4885

“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.