SCHEMBL20230727

SCHEMBL20230727

CC1(C)c2cc(Br)ccc2Sc2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPT P10636 3/20 0.39
HPGD P15428 3/20 0.39
NR1H2 P55055 4/20 0.37
NR1H3 Q13133 4/20 0.37
NR1H4 Q96RI1 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NTSR1 P30989 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
DGAT1 O75907 1/20 0.35
ABCB1 P08183 1/20 0.35
ABCC1 P33527 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35

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
SCHEMBL27287829 0.87 MEN1 (0.41) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL20230737 0.86 MEN1 (0.42) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL15741225 0.85 MEN1 (0.41) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL27288000 0.81 MEN1 (0.49) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL20230743 0.81 NR1H4 (0.40) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL28521928 0.80 NR1H4 (0.42) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL29949430 0.80 NR1H4 (0.42) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL22419035 0.79 NPC1 (0.43) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL20230725 0.79 SNCA (0.38) LMNAMAPK1
SCHEMBL27287830 0.79 MEN1 (0.35) MEN1KMT2AALDH1A1MAPTHPGD

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-20180159050-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2018-06-07 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-20180159050-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CCNE2, CCNT1 MEN1 666/4885KMT2A 1608/4885ALDH1A1 127/4885

“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.