SCHEMBL18389014

SCHEMBL18389014

O=S(=O)(c1ccccc1)c1ccc(-c2ccc(-n3c4ccc(N(c5ccccc5)c5ccccc5)cc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.39
PKM P14618 2/20 0.38
TSHR P16473 1/20 0.37
SRC P12931 2/20 0.34
PRKACA P17612 1/20 0.34
PRKACG P22612 1/20 0.34
PRKACB P22694 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
GALR1 P47211 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33
BCL2 P10415 1/20 0.33
MCL1 Q07820 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32

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
SCHEMBL18389072 1.00 HTR6 (0.39) HTR6PKMTSHRSRCPRKACA
SCHEMBL18388641 0.96 KDM4E (0.40) HTR6PKMTSHRSRCPRKACA
SCHEMBL18389070 0.96 KDM4E (0.40) HTR6PKMTSHRSRCPRKACA
SCHEMBL20412898 0.95 KDM4E (0.41) HTR6PKMTSHRL3MBTL1KDM4E
SCHEMBL20412922 0.95 HTR6 (0.39) HTR6PKMTSHRSRCPRKACA
SCHEMBL20412931 0.90 TUBB4A (0.35) HTR6PKM
SCHEMBL20412868 0.90 TUBB4A (0.35) HTR6PKM
SCHEMBL20412929 0.89 TUBB4A (0.36) HTR6PKM
SCHEMBL20088707 0.88 KDM4E (0.41) PKML3MBTL1ALDH1A1GAAKDM4E
SCHEMBL9912827 0.86 L3MBTL1 (0.40) L3MBTL1ALDH1A1GAAKDM4EATM

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 HTR6 1610/4885PKM 4475/4885TSHR 3857/4885

“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.