SCHEMBL18411368

SCHEMBL18411368

N#Cc1cccc(-c2cccc(-c3ccccc3)c2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 3/20 0.59
GABRB3 P28472 3/20 0.59
GABRA5 P31644 3/20 0.59
GABRA3 P34903 3/20 0.59
GABRA1 P14867 1/20 0.59
CLK4 Q9HAZ1 1/20 0.57
TSHR P16473 1/20 0.56
XDH P47989 1/20 0.54
SLC22A12 Q96S37 1/20 0.54
PTPN5 P54829 1/20 0.54
ADORA2A P29274 3/20 0.53
ADORA1 P30542 2/20 0.53
ALDH1A3 P47895 1/20 0.51
ADRA2C P18825 1/20 0.50
ADORA2B P29275 1/20 0.49
CHEK1 O14757 1/20 0.49
IDO1 P14902 2/20 0.49
NOTUM Q6P988 1/20 0.49
MAOB P27338 1/20 0.49
MMP12 P39900 1/20 0.48

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
SCHEMBL18411383 1.00 GABRG2 (0.59) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL29425207 0.98 GABRG2 (0.61) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL270874 0.98 GABRG2 (0.61) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL29511815 0.96 XDH (0.56) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL20396126 0.96 XDH (0.56) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL27787243 0.93 CLK4 (0.63) GABRG2GABRB3GABRA5GABRA3GABRA1
Biphenyl SCHEMBL29234256 0.91 TSHR (0.62) GABRG2GABRB3GABRA5GABRA3GABRA1
Hydrochloric Acid SCHEMBL28007259 0.91 CLK4 (0.61) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL2154026 0.91 CLK4 (0.65) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL17775874 0.89 PTPN5 (0.49) GABRG2GABRB3GABRA5GABRA3GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220336752-A1 Organic Electroluminescent Element, Material for Organic Electroluminescent Element, Light Emitting Device, Display Device and Lighting Device Each Using Said Element, and Compound Used for Said Element UDC IRELAND LIMITED (IE) 2022-10-20 US disclosed
US-11171293-B2 Organic electroluminescent element, material for organic electroluminescent element, light emitting device, display device and lighting device each using said element, and compound used for said element UDC IRELAND LIMITED (IE) 2021-11-09 US disclosed
US-10043983-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2018-08-07 US disclosed
US-20170025620-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2017-01-26 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-10043983-B2 Condensed cyclic compound and organic light-emitting device including the same CRY1, CCNE1, CRY2 GABRG2 4112/4885GABRB3 4420/4885GABRA5 4276/4885
US-20220336752-A1 Organic Electroluminescent Element, Material for Organic Electroluminescent Element, Light Emitting Device, Display Device and Lighting Device Each Using Said Element, and Compound Used for Said Element L1CAM, NR2E3, OR10J3 GABRG2 2627/4885GABRB3 3047/4885GABRA5 2578/4885
US-20170025620-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CCNE1, CRY2 GABRG2 4112/4885GABRB3 4420/4885GABRA5 4276/4885
US-11171293-B2 Organic electroluminescent element, material for organic electroluminescent element, light emitting device, display device and lighting device each using said element, and compound used for said element L1CAM, OR10J3, INTS9 GABRG2 2646/4885GABRB3 2998/4885GABRA5 2651/4885

“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.