SCHEMBL21019388

SCHEMBL21019388

CN(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ncccn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
NFKB1 P19838 2/20 0.47
NFKB2 Q00653 2/20 0.47
RELA Q04206 2/20 0.47
CLK4 Q9HAZ1 2/20 0.46
PDE5A O76074 2/20 0.44
CYP1A2 P05177 3/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
HPGD P15428 2/20 0.42
CYP2C19 P33261 2/20 0.42
TP53 P04637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ADRB2 P07550 1/20 0.41
CHKA P35790 1/20 0.40

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
SCHEMBL21019041 0.92 CLK4 (0.52) SMN1; SMN2CLK4PDE5ACYP1A2MAPT
SCHEMBL3157659 0.83 RAB9A (0.64) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL6723783 0.83 ALDH1A1 (0.50) SMN1; SMN2PDE5ACYP1A2MAPTKDM4E
SCHEMBL6723671 0.83 ALDH1A1 (0.50) SMN1; SMN2PDE5ACYP1A2MAPTKDM4E
SCHEMBL12249883 0.83 ALDH1A1 (0.50) SMN1; SMN2PDE5ACYP1A2MAPTKDM4E
SCHEMBL6723957 0.83 ALDH1A1 (0.50) SMN1; SMN2PDE5ACYP1A2MAPTKDM4E
SCHEMBL21019111 0.83 CLK4 (0.44) SMN1; SMN2CLK4PDE5ACYP1A2MAPT
SCHEMBL12249562 0.81 CYP1A2 (0.46) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL2742925 0.81 CHKA (0.53) SMN1; SMN2PDE5ACYP1A2KDM4EALDH1A1
SCHEMBL6723658 0.81 CHKA (0.53) SMN1; SMN2PDE5ACYP1A2KDM4EALDH1A1

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-20190157567-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME DOOSAN CORPORATION (KR) 2019-05-23 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-20190157567-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME SLC18A3, L1CAM, TMEM109 SMN1; SMN2 2435/4885NPC1 646/4885RAB9A 1173/4885

“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.