SCHEMBL18388641

SCHEMBL18388641

O=S(=O)(c1ccccc1)c1ccc(-c2ccc(-n3c4ccccc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HDAC4 P56524 1/20 0.37
HTR6 P50406 5/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
PKM P14618 2/20 0.35
TSPO P30536 1/20 0.35
TSHR P16473 1/20 0.35
AGTR1 P30556 1/20 0.34
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
BACE1 P56817 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GALR1 P47211 1/20 0.33

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
SCHEMBL18389070 1.00 KDM4E (0.40) KDM4EATML3MBTL1HDAC4HTR6
SCHEMBL20412898 0.99 KDM4E (0.41) KDM4EATML3MBTL1HDAC4HTR6
SCHEMBL18389014 0.96 HTR6 (0.39) KDM4EATML3MBTL1HTR6PTGDR2
SCHEMBL18389072 0.96 HTR6 (0.39) KDM4EATML3MBTL1HTR6PTGDR2
SCHEMBL20412922 0.91 HTR6 (0.39) L3MBTL1HTR6PKMTSPOTSHR
SCHEMBL19388234 0.88 L3MBTL1 (0.45) KDM4EATML3MBTL1HDAC4PTGDR2
SCHEMBL12559386 0.87 L3MBTL1 (0.49) KDM4EATML3MBTL1HDAC4TSPO
SCHEMBL17742497 0.87 L3MBTL1 (0.53) KDM4EATML3MBTL1HDAC4TSPO
SCHEMBL17740729 0.87 L3MBTL1 (0.49) KDM4EATML3MBTL1HDAC4TSPO
SCHEMBL559631 0.87 L3MBTL1 (0.49) KDM4EATML3MBTL1HDAC4TSPO

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-20180212158-A1 ORGANIC LIGHT-EMITTING DIODE MATERIALS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2018-07-26 US disclosed
US-20180212158-A1 ORGANIC LIGHT-EMITTING DIODE MATERIALS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2018-07-26 US disclosed
WO-2017011531-A2 ORGANIC LIGHT-EMITTING DIODE MATERIALS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-01-19 WO 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-20180212158-A1 ORGANIC LIGHT-EMITTING DIODE MATERIALS MSN, DDT, NECTIN4 KDM4E 2444/4885ATM 3591/4885L3MBTL1 206/4885

“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.