SCHEMBL21046131

SCHEMBL21046131

N#Cc1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c(N3c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc43)c2-c2ccccc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.35
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
TSHR P16473 1/20 0.33
ALDH1A3 P47895 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
SLC22A12 Q96S37 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ATM Q13315 2/20 0.32
PDK2 Q15119 1/20 0.32
PGR P06401 1/20 0.32
FASN P49327 1/20 0.32
MAPK13 O15264 1/20 0.32
RAF1 P04049 1/20 0.32
MAPK12 P53778 1/20 0.32

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
SCHEMBL21046138 0.87 ALDH1A3 (0.34) ARALDH1A3GABRA1GABRG2GABRB3
SCHEMBL21085446 0.83 PDK2 (0.36) MAOAMAOBTSHRALDH1A3GABRA1
SCHEMBL21046112 0.83 MAPK13 (0.33) ARALDH1A3GABRA1GABRG2GABRB3
SCHEMBL19345024 0.82 PGR (0.42) ARMAOAMAOBTSHRALDH1A3
SCHEMBL13143195 0.81 PGR (0.41) ARMAOAMAOBTSHRALDH1A3
SCHEMBL13143204 0.80 PGR (0.45) MAOAMAOBTSHRPGR
SCHEMBL13143155 0.77 PGR (0.42) MAOAMAOBTSHRPGRALDH1A1
SCHEMBL20769874 0.77 MYC (0.38) ARMAOAMAOBTSHRALDH1A3
SCHEMBL13870382 0.76 KDM4E (0.40) ALDH1A3GABRA1GABRG2GABRB3GABRA5
SCHEMBL13143196 0.75 ALDH1A1 (0.42) MAOAMAOBTSHRALDH1A3GABRA1

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-20190173017-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES Kyulux North America, Inc. 2019-06-06 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-20190173017-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES CRY2, ALDH1A2, CYBA AR 4237/4885MAOA 146/4885MAOB 57/4885

“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.