SCHEMBL20412922

SCHEMBL20412922

O=S(=O)(c1ccccc1)c1ccc(-c2ccc(-c3ccc(-n4c5ccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5c5cc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)ccc54)cc3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 9/20 0.39
PKM P14618 2/20 0.38
TSHR P16473 1/20 0.37
TSPO P30536 1/20 0.34
SRC P12931 2/20 0.34
PRKACA P17612 1/20 0.34
PRKACG P22612 1/20 0.34
PRKACB P22694 1/20 0.34
GALR1 P47211 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 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
SCHEMBL18389014 0.95 HTR6 (0.39) HTR6PKMTSHRSRCPRKACA
SCHEMBL18389072 0.95 HTR6 (0.39) HTR6PKMTSHRSRCPRKACA
SCHEMBL18389070 0.91 KDM4E (0.40) HTR6PKMTSHRTSPOSRC
SCHEMBL18388641 0.91 KDM4E (0.40) HTR6PKMTSHRTSPOSRC
SCHEMBL20412898 0.90 KDM4E (0.41) HTR6PKMTSHRTSPOL3MBTL1
SCHEMBL21291364 0.88 HTR6 (0.42) HTR6PKMTSHRTSPOL3MBTL1
SCHEMBL9913039 0.88 L3MBTL1 (0.41) TSPOL3MBTL1ALDH1A1GAA
SCHEMBL9913053 0.88 L3MBTL1 (0.41) TSPOL3MBTL1ALDH1A1GAA
SCHEMBL20707520 0.86 KDM4E (0.40) TSPOL3MBTL1ALDH1A1GAA
SCHEMBL20707427 0.86 KDM4E (0.40) TSPOL3MBTL1ALDH1A1GAA

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 2 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

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.