SCHEMBL10128889

SCHEMBL10128889

Ic1ccc2c(c1)c1ccccc1c1nnc(-c3cccc(-c4ccccc4)c3)n21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
HTT P42858 1/20 0.37
TYMS P04818 1/20 0.36
NPC1 O15118 1/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
G6PD P11413 1/20 0.36
PKM P14618 1/20 0.36
ALOX12 P18054 1/20 0.36
HKDC1 Q2TB90 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 1/20 0.34
MAOA P21397 2/20 0.34
PDE2A O00408 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
SCHEMBL10128887 0.92 POLB (0.48) POLBKDM4EALDH1A1TYMSNPC1
SCHEMBL10128881 0.92 POLB (0.50) POLBKDM4EALDH1A1TYMSNPC1
SCHEMBL10128695 0.91 POLB (0.48) POLBL3MBTL1KDM4EALDH1A1TYMS
SCHEMBL10128699 0.88 POLB (0.47) POLBKDM4EALDH1A1TYMSNPC1
SCHEMBL10128683 0.88 POLB (0.47) POLBKDM4EALDH1A1TYMSNPC1
SCHEMBL10128904 0.87 POLB (0.41) POLBKDM4EALDH1A1TYMSNPC1
SCHEMBL10128648 0.87 POLB (0.60) POLBL3MBTL1KDM4EALDH1A1HTT
SCHEMBL10128892 0.86 POLB (0.44) POLBKDM4EALDH1A1HTTTYMS
SCHEMBL10128840 0.85 POLB (0.52) POLBL3MBTL1KDM4EALDH1A1HTT
SCHEMBL10128634 0.84 POLB (0.63) POLBL3MBTL1KDM4EALDH1A1HTT

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 3317/4885L3MBTL1 443/4885KDM4E 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.