SCHEMBL20160611

SCHEMBL20160611

Cc1ccc(N(c2ccc(Nc3ccccc3)cc2)c2ccc(Nc3cccc(C)c3)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.70
HPGD P15428 2/20 0.60
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
MAPT P10636 4/20 0.48
ALDH1A1 P00352 3/20 0.48
AR P10275 1/20 0.48
KCNH3 Q9ULD8 1/20 0.46
THRB P10828 1/20 0.44
PKM P14618 1/20 0.44
GAA P10253 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
TSHR P16473 2/20 0.43
HSD17B10 Q99714 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
PTGS1 P23219 1/20 0.43
SLC6A2 P23975 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL13175108 0.98 NPSR1 (0.68) NPSR1HPGDMEN1KMT2AMAPT
SCHEMBL12955708 0.97 NPSR1 (0.63) NPSR1HPGDMEN1KMT2AMAPT
SCHEMBL18659471 0.95 NPSR1 (0.64) NPSR1HPGDMEN1KMT2AMAPT
SCHEMBL12955819 0.95 NPSR1 (0.72) NPSR1HPGDMEN1KMT2AMAPT
SCHEMBL14549384 0.94 NPSR1 (0.62) NPSR1HPGDMEN1KMT2AMAPT
SCHEMBL840984 0.93 NPSR1 (0.68) NPSR1HPGDMEN1KMT2AMAPT
SCHEMBL23802674 0.92 NPSR1 (0.68) NPSR1HPGDMEN1KMT2AMAPT
SCHEMBL27924209 0.91 NPSR1 (0.78) NPSR1HPGDMEN1KMT2AMAPT
SCHEMBL4877194 0.91 NPSR1 (0.78) NPSR1HPGDMEN1KMT2AMAPT
SCHEMBL3461983 0.90 NPSR1 (0.66) NPSR1HPGDMEN1KMT2AMAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10968230-B2 Spiro-structured compound and organic electronic device comprising same LG CHEM, LTD. 2021-04-06 US disclosed
US-20200144511-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DOOSAN CORPORATION (KR) 2020-05-07 US disclosed
US-10580996-B2 Polycyclic compound and organic light-emitting element comprising same LG CHEM, LTD. (KR) 2020-03-03 US disclosed
US-20180138421-A1 POLYCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-17 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 (4 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-20200144511-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME OR10J3, ORAI2, ORC3 NPSR1 4756/4885HPGD 3445/4885MEN1 2046/4885
US-10968230-B2 Spiro-structured compound and organic electronic device comprising same ESR1, OR10J3, ERG NPSR1 3047/4885HPGD 2975/4885MEN1 728/4885
US-20180138421-A1 POLYCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME CRY2, NR2E3, CRY1 NPSR1 4131/4885HPGD 4150/4885MEN1 396/4885
US-10580996-B2 Polycyclic compound and organic light-emitting element comprising same CRY2, NR2E3, CRY1 NPSR1 4131/4885HPGD 4150/4885MEN1 396/4885

“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.