SCHEMBL10127757

SCHEMBL10127757

c1ccc(C2(c3ccccc3)c3cc(-c4nnc5c6ccccc6c6ccccc6n45)ccc3-c3ccc(-n4c5ccccc5c5ccccc54)cc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
TYMS P04818 1/20 0.33
KDM4E B2RXH2 4/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
ATM Q13315 1/20 0.32
ALDH1A1 P00352 5/20 0.31
MAPT P10636 2/20 0.31
HPGD P15428 2/20 0.31
G6PD P11413 1/20 0.31
PKM P14618 1/20 0.31
ALOX12 P18054 1/20 0.31
HKDC1 Q2TB90 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HTT P42858 1/20 0.31
LMNA P02545 1/20 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
SCHEMBL10127711 0.91 POLB (0.45) POLBKDM4EL3MBTL1ATMALDH1A1
SCHEMBL10127792 0.88 POLB (0.38) POLBTYMSKDM4EL3MBTL1ATM
SCHEMBL10127850 0.88 POLB (0.38) POLBTYMSKDM4EL3MBTL1ATM
SCHEMBL10127709 0.87 POLB (0.48) POLBTYMSKDM4EL3MBTL1ATM
SCHEMBL10128659 0.86 POLB (0.45) POLBTYMSKDM4EL3MBTL1ALDH1A1
SCHEMBL10128477 0.86 POLB (0.45) POLBTYMSKDM4EL3MBTL1ALDH1A1
SCHEMBL10128218 0.82 TUBB4A (0.34) ALDH1A1MAPT
SCHEMBL10127796 0.82 POLB (0.41) POLBTYMSKDM4EL3MBTL1ATM
SCHEMBL10127862 0.82 POLB (0.41) POLBTYMSKDM4EL3MBTL1ATM
SCHEMBL12113785 0.80 KDM4E (0.48) POLBKDM4EL3MBTL1ATMALDH1A1

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 POLB 3317/4885TYMS 2023/4885KDM4E 2008/4885

“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.