SCHEMBL20152507

SCHEMBL20152507

CC(C)c1ccc2c(c1)Sc1ccccc1N2c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 8/20 0.42
DRD3 P35462 5/20 0.42
HTR1A P08908 4/20 0.42
HTR2C P28335 3/20 0.42
HTR2B P41595 3/20 0.42
HTR2A P28223 2/20 0.42
HTR6 P50406 2/20 0.42
ADRB3 P13945 1/20 0.42
ADRA2A P08913 4/20 0.42
SLC6A2 P23975 4/20 0.42
SLC6A4 P31645 4/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
ADRA2B P18089 2/20 0.42
ADRA2C P18825 2/20 0.42
CHRM3 P20309 2/20 0.42
NOX1 Q9Y5S8 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HDAC6 Q9UBN7 1/20 0.41
MAOA P21397 2/20 0.41

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
SCHEMBL1102436 0.91 BCHE (0.42) BCHEDRD3HTR1AHTR2CHTR2B
SCHEMBL12536831 0.85 HDAC6 (0.50) BCHEDRD3HTR1AHTR2CHTR2B
SCHEMBL29617993 0.85 HDAC6 (0.50) BCHEDRD3HTR1AHTR2CHTR2B
SCHEMBL21914047 0.84 BCHE (0.44) BCHEDRD3HTR1AHTR2CHTR2B
SCHEMBL17278634 0.82 MAPT (0.37) KMT2AMEN1L3MBTL1HDAC6HPGD
SCHEMBL20203546 0.81 BCHE (0.33) BCHEDRD3HTR1AHTR2CHTR2B
SCHEMBL1102443 0.80 MGLL (0.39) BCHEL3MBTL1HPGDNPSR1LMNA
SCHEMBL342426 0.80 HDAC6 (0.56) BCHEKMT2AMEN1NOX1HDAC6
SCHEMBL29387100 0.80 HDAC6 (0.56) BCHEKMT2AMEN1NOX1HDAC6
SCHEMBL13203010 0.80 KMT2A (0.45) BCHEDRD3HTR2CHTR2BADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11638390-B2 Composition of matter for use in organic light-emitting diodes KYULUX, INC. (JP) 2023-04-25 US disclosed
US-20200119287-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES KYULUX, INC. (JP) 2020-04-16 US disclosed
WO-2019078461-A1 NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 2019-04-25 WO disclosed
US-20180148640-A1 DOUBLE SPIRO ORGANIC COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-31 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-20200119287-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES CRY2, CLTB, CYBA BCHE 1597/4885DRD3 531/4885HTR1A 1223/4885
US-20180138421-A1 POLYCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME CRY2, NR2E3, CRY1 BCHE 3627/4885DRD3 1117/4885HTR1A 3111/4885
US-20180148640-A1 DOUBLE SPIRO ORGANIC COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME DCX, TERT, TELO2 BCHE 3654/4885DRD3 2994/4885HTR1A 4144/4885
US-11638390-B2 Composition of matter for use in organic light-emitting diodes CRY2, CLTB, CYBA BCHE 1597/4885DRD3 531/4885HTR1A 1223/4885

“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.