SCHEMBL17016296

SCHEMBL17016296

O=C(c1ccccc1)c1ccc2c(c1)c1ccc3c(ccn3-c3ccccc3)c1n2-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GLA P06280 1/20 0.42
CNR2 P34972 1/20 0.40
HPGD P15428 3/20 0.39
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SCN2B O60939 1/20 0.37
SCN1A P35498 1/20 0.37
SCN1B Q07699 1/20 0.37
SCN5A Q14524 1/20 0.37
SCN9A Q15858 1/20 0.37
PLA2G4A P47712 1/20 0.36
FGFR1 P11362 3/20 0.35
SRD5A2 P31213 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
MEN1 O00255 2/20 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
SCHEMBL17016298 0.91 SRC (0.39) ALDH1A1SMN1; SMN2GLACNR2HPGD
SCHEMBL17016174 0.90 L3MBTL1 (0.41) ALDH1A1SMN1; SMN2GLACNR2HPGD
SCHEMBL17015222 0.90 L3MBTL1 (0.41) ALDH1A1SMN1; SMN2GLACNR2HPGD
SCHEMBL17015225 0.89 CNR2 (0.40) ALDH1A1SMN1; SMN2GLACNR2HPGD
SCHEMBL17016181 0.89 RORC (0.41) ALDH1A1SMN1; SMN2GLACNR2HPGD
SCHEMBL17016322 0.86 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2GLACNR2HPGD
SCHEMBL17016183 0.86 CNR2 (0.38) ALDH1A1SMN1; SMN2GLACNR2HPGD
SCHEMBL17015226 0.86 CNR2 (0.38) ALDH1A1SMN1; SMN2GLACNR2HPGD
SCHEMBL17015691 0.85 CA12 (0.38) ALDH1A1SMN1; SMN2GLACNR2HPGD
SCHEMBL17015695 0.84 CYP19A1 (0.38) ALDH1A1SMN1; SMN2GLACNR2KDM4E

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-9837618-B2 Compound and organic electroluminescence device including thesame DOOSAN CORPORATION (KR) 2017-12-05 US disclosed
US-9837618-B2 Compound and organic electroluminescence device including thesame DOOSAN CORPORATION (KR) 2017-12-05 US disclosed
US-20150236272-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THESAME DOOSAN CORPORATION (KR) 2015-08-20 US disclosed
US-20150236272-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THESAME DOOSAN CORPORATION (KR) 2015-08-20 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-20150236272-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THESAME INMT, IDO1, IDO2 ALDH1A1 1188/4885SMN1; SMN2 3507/4885GLA 989/4885

“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.