SCHEMBL18347485

SCHEMBL18347485

N#Cc1ccccc1-c1cccc(-n2c3ccccc3c3ccc(-n4c5ccccc5c5ccccc54)cc32)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 7/20 0.43
GABRB3 P28472 7/20 0.43
GABRA1 P14867 6/20 0.43
GABRA5 P31644 5/20 0.43
GABRA3 P34903 5/20 0.43
NR3C1 P04150 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP19A1 P11511 1/20 0.39
TRPA1 O75762 1/20 0.39
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
MAPK1 P28482 2/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ESR2 Q92731 1/20 0.38
GABRA2 P47869 4/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36

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
SCHEMBL18347506 0.94 GABRG2 (0.42) GABRG2GABRB3GABRA1GABRA5GABRA3
SCHEMBL18347486 0.92 GABRG2 (0.45) GABRG2GABRB3GABRA1GABRA5GABRA3
SCHEMBL17949625 0.92 GABRG2 (0.44) GABRG2GABRB3GABRA1GABRA5GABRA3
SCHEMBL18347477 0.92 GABRA1 (0.40) GABRG2GABRB3GABRA1GABRA5GABRA3
SCHEMBL19697873 0.88 GABRG2 (0.40) GABRG2GABRB3GABRA1GABRA5GABRA3
SCHEMBL19697968 0.88 GABRG2 (0.40) GABRG2GABRB3GABRA1GABRA5GABRA3
SCHEMBL18347512 0.88 GABRG2 (0.42) GABRG2GABRB3GABRA1GABRA5GABRA3
SCHEMBL19697260 0.88 GABRG2 (0.42) GABRG2GABRB3GABRA1GABRA5GABRA3
SCHEMBL18347505 0.88 GABRG2 (0.44) GABRG2GABRB3GABRA1GABRA5GABRA3
SCHEMBL18347507 0.88 GABRG2 (0.44) GABRG2GABRB3GABRA1GABRA5GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160380210-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2016-12-29 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-20160380210-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNT1 GABRG2 3717/4885GABRB3 4113/4885GABRA1 3262/4885

“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.