SCHEMBL21701867

SCHEMBL21701867

N#Cc1ccc2c(c1)-c1cc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)c4)c3)ccc1C21c2ccccc2Sc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.38
ALDH1A3 P47895 1/20 0.37
MEN1 O00255 6/20 0.37
ALDH1A1 P00352 6/20 0.37
KMT2A Q03164 6/20 0.37
KDM4E B2RXH2 6/20 0.37
HPGD P15428 6/20 0.37
LMNA P02545 5/20 0.37
MAPT P10636 4/20 0.37
PDK2 Q15119 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 4/20 0.36
TSHR P16473 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TP53 P04637 1/20 0.36
GABRA1 P14867 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRA3 P34903 2/20 0.36

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
SCHEMBL21702229 0.98 MEN1 (0.38) ABCG2ALDH1A3MEN1ALDH1A1KMT2A
SCHEMBL21701865 0.97 ABCG2 (0.40) ABCG2ALDH1A3MEN1ALDH1A1KMT2A
SCHEMBL21701866 0.96 ABCG2 (0.39) ABCG2ALDH1A3MEN1ALDH1A1KMT2A
SCHEMBL21702232 0.96 ABCG2 (0.39) ABCG2ALDH1A3MEN1ALDH1A1KMT2A
SCHEMBL21702225 0.96 ABCG2 (0.41) ABCG2ALDH1A3MEN1ALDH1A1KMT2A
SCHEMBL21701864 0.95 ABCG2 (0.41) ABCG2ALDH1A3MEN1ALDH1A1KMT2A
SCHEMBL21701924 0.95 ALDH1A3 (0.42) ABCG2ALDH1A3MEN1ALDH1A1KMT2A
SCHEMBL21701589 0.94 CYP1A2 (0.38) ABCG2ALDH1A3MEN1ALDH1A1KMT2A
SCHEMBL21701608 0.94 CYP1A2 (0.38) ABCG2ALDH1A3MEN1ALDH1A1KMT2A
SCHEMBL21701618 0.94 ABCG2 (0.42) ABCG2ALDH1A3MEN1ALDH1A1KMT2A

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-20200048230-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT INCLUDING SAME LG CHEM, LTD. (KR) 2020-02-13 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-20200048230-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT INCLUDING SAME CRY1, CRY2, CYP1A1 ABCG2 2349/4885ALDH1A3 249/4885MEN1 319/4885

“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.