SCHEMBL18347495

SCHEMBL18347495

N#Cc1ccccc1-c1cccc(-n2c3ccccc3c3c(-n4c5ccccc5c5ccccc54)cccc32)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 7/20 0.40
GABRB3 P28472 7/20 0.40
GABRA1 P14867 6/20 0.40
GABRA5 P31644 5/20 0.40
GABRA3 P34903 5/20 0.40
CYP19A1 P11511 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TRPA1 O75762 1/20 0.36
NR3C1 P04150 1/20 0.35
GABRA2 P47869 4/20 0.35
ESR2 Q92731 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
HIF1A Q16665 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34

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
SCHEMBL18347512 0.91 GABRG2 (0.42) GABRG2GABRB3GABRA1GABRA5GABRA3
SCHEMBL22154097 0.91 SMN1; SMN2 (0.35) GABRG2GABRB3GABRA1GABRA5GABRA3
SCHEMBL22152585 0.91 SMN1; SMN2 (0.39) GABRG2GABRB3GABRA1GABRA5GABRA3
SCHEMBL22152590 0.91 SMN1; SMN2 (0.35) GABRG2GABRB3GABRA1GABRA5GABRA3
SCHEMBL22152588 0.91 SMN1; SMN2 (0.35) GABRG2GABRB3GABRA1GABRA5GABRA3
SCHEMBL22152910 0.91 SMN1; SMN2 (0.35) GABRG2GABRB3GABRA1GABRA5GABRA3
SCHEMBL22153421 0.91 SMN1; SMN2 (0.39) GABRG2GABRB3GABRA1GABRA5GABRA3
SCHEMBL18388682 0.90 GABRG2 (0.45) GABRG2GABRB3GABRA1GABRA5GABRA3
SCHEMBL22153618 0.90 GABRA1 (0.33) GABRG2GABRB3GABRA1GABRA5GABRA3
SCHEMBL22153999 0.90 GABRA1 (0.33) 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.