SCHEMBL20172884

SCHEMBL20172884

CCc1ccccc1N(C)c1cccc2c1sc1c(C)cccc12

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
MAPT P10636 1/20 0.36
NPC1 O15118 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALOX12 P18054 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B1 P14061 1/20 0.31
HSD17B2 P37059 1/20 0.31

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
SCHEMBL21020007 0.90 CYP2D6 (0.38) TP53TDP1MAPTNPC1CYP1A2
SCHEMBL21020012 0.89 TP53 (0.35) TP53TDP1MAPTNPC1CYP1A2
SCHEMBL20172887 0.86 ALDH1A1 (0.35) TP53MAPTNPC1CYP1A2CYP2D6
SCHEMBL20172875 0.85 CYP1A2 (0.35) TP53CYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL20172865 0.84 L3MBTL1 (0.40) MAPTNPC1CYP1A2CYP2D6CYP2C19
SCHEMBL21020009 0.82 NPC1 (0.34) NPC1CYP1A2CYP2D6CYP2C19MEN1
SCHEMBL20172905 0.82 LMNA (0.33) TP53TDP1MAPTNPC1CYP1A2
SCHEMBL20172937 0.82 NPC1 (0.36) TP53TDP1MAPTNPC1CYP1A2
SCHEMBL20172898 0.81 ALDH1A1 (0.38) MAPTNPC1CYP1A2CYP2D6CYP2C19
SCHEMBL20172921 0.81 POLQ (0.36) NPC1CYP1A2CYP2D6CYP2C19MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10651411-B2 Compound and organic light emitting device containing same LG CHEM, LTD. (KR) 2020-05-12 US disclosed
US-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME LG CHEM, LTD. (KR) 2018-05-24 US disclosed
US-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME LG CHEM, LTD. (KR) 2018-05-24 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 (2 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-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME CRY1, CRY2, OR10J3 TP53 4582/4885TDP1 3519/4885MAPT 754/4885
US-10651411-B2 Compound and organic light emitting device containing same CRY1, CRY2, OR10J3 TP53 4582/4885TDP1 3519/4885MAPT 754/4885

“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.