SCHEMBL21350643

SCHEMBL21350643

N#Cc1cc[n+](CCCC[n+]2ccc(C#N)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.52
CYP2A6 P11509 1/20 0.44
TSHR P16473 1/20 0.42
BCHE P06276 9/20 0.41
ACHE P22303 9/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
HTT P42858 2/20 0.40
CHKA P35790 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
Bromide SCHEMBL8425884 0.98 HDAC8 (0.50) HDAC8CYP2A6BCHEACHECHKA
Bromide SCHEMBL8425890 0.95 HDAC8 (0.48) HDAC8BCHEACHECHKA
Bromide SCHEMBL8428013 0.95 HDAC8 (0.48) HDAC8BCHEACHECHKA
SCHEMBL8660074 0.87 KMT2A (0.50) HDAC8CYP2A6TSHRACHEMEN1
Bromide SCHEMBL5489286 0.86 KMT2A (0.60) TSHRACHEMEN1TP53CYP1A2
Hydrochloric Acid SCHEMBL8775080 0.86 KMT2A (0.60) TSHRACHEMEN1TP53CYP1A2
Bromide SCHEMBL8663821 0.85 KMT2A (0.48) HDAC8CYP2A6TSHRACHEMEN1
Hydrochloric Acid SCHEMBL11600265 0.85 MEN1 (0.48) HDAC8CYP2A6TSHRACHEMEN1
SCHEMBL15164193 0.83 HDAC8 (0.56) HDAC8CYP2A6TSHRMAPT
SCHEMBL28333937 0.81 HDAC8 (0.54) HDAC8CYP2A6TSHRMEN1TP53

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11737300-B2 Coating composition and organic light-emitting device LG CHEM, LTD. (KR) 2023-08-22 US disclosed
US-11702550-B2 Coating composition, organic light-emitting diode using same, and method for preparing same LG CHEM, LTD. 2023-07-18 US disclosed
US-11472966-B2 Coating composition, organic light-emitting diode using same and method for preparing same LG CHEM, LTD. 2022-10-18 US disclosed
US-11228011-B2 Ionic compound, coating composition comprising same, and organic light-emitting diode LG CHEM, LTD. 2022-01-18 US disclosed
US-11165037-B2 Organic light-emitting diode LG CHEM, LTD. 2021-11-02 US disclosed
US-20200277502-A1 Coating Composition, Organic Light-Emitting Diode Using Same, and Method for Preparing Same LG CHEM, LTD. (KR) 2020-09-03 US disclosed
US-20190280206-A1 Coating Composition And Organic Light-emitting Device LG CHEM, LTD. (KR) 2019-09-12 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 (4 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-11165037-B2 Organic light-emitting diode L3MBTL3, CRY2, ALDH1A2 HDAC8 4498/4885CYP2A6 566/4885TSHR 2352/4885
US-11228011-B2 Ionic compound, coating composition comprising same, and organic light-emitting diode COG1, ITGA1, ITGB1 HDAC8 4674/4885CYP2A6 2597/4885TSHR 4763/4885
US-11472966-B2 Coating composition, organic light-emitting diode using same and method for preparing same OR10J3, SEM1, ORMDL3 HDAC8 4446/4885CYP2A6 1082/4885TSHR 4699/4885
US-11737300-B2 Coating composition and organic light-emitting device CD59, CLTB, EPCAM HDAC8 4693/4885CYP2A6 1388/4885TSHR 4358/4885

“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.