SCHEMBL17279986

SCHEMBL17279986

c1cc(-c2cc(-c3cccs3)[nH]n2)cc(-c2cc(-c3cccs3)[nH]n2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.60
KMT2A Q03164 6/20 0.56
MEN1 O00255 5/20 0.56
MAPT P10636 4/20 0.56
NFKB1 P19838 2/20 0.56
NFKB2 Q00653 2/20 0.56
RELA Q04206 2/20 0.56
AHR P35869 1/20 0.56
ALDH1A1 P00352 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
RAB9A P51151 2/20 0.51
HPGD P15428 2/20 0.51
ALOX15 P16050 2/20 0.51
GAA P10253 1/20 0.51
POLB P06746 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
APP P05067 2/20 0.46
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
KDM4E B2RXH2 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
SCHEMBL7200957 0.83 ADORA3 (0.56) ADORA3KMT2AMEN1MAPTNFKB1
SCHEMBL17570209 0.83 POLB (0.62) ADORA3KMT2AMEN1MAPTNFKB1
SCHEMBL7202530 0.83 ADORA3 (0.56) ADORA3KMT2AMEN1MAPTNFKB1
SCHEMBL6417475 0.80 RAB9A (0.62) ADORA3KMT2AMEN1MAPTNFKB1
SCHEMBL7203746 0.79 KMT2A (0.56) ADORA3KMT2AMEN1MAPTNFKB1
SCHEMBL1665919 0.75 ADORA3 (0.62) ADORA3KMT2AMEN1MAPTNFKB1
SCHEMBL17938567 0.75 MEN1 (0.73) ADORA3KMT2AMEN1MAPTNFKB1
SCHEMBL20099829 0.75 ADORA3 (0.70) ADORA3KMT2AMEN1MAPTNFKB1
SCHEMBL20340353 0.74 RAB9A (0.84) ADORA3KMT2AMEN1MAPTNFKB1
SCHEMBL15088445 0.74 KMT2A (0.57) ADORA3KMT2AMEN1MAPTNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180203175-A1 TRIAZOLE COMPOUND Konica Minolta, Inc. (JP) 2018-07-19 US disclosed
US-20180203175-A1 TRIAZOLE COMPOUND Konica Minolta, Inc. (JP) 2018-07-19 US disclosed
US-10012777-B2 Resin composition Konica Minolta, Inc. (JP) 2018-07-03 US disclosed
US-10012777-B2 Resin composition Konica Minolta, Inc. (JP) 2018-07-03 US disclosed
US-20150338563-A1 RESIN COMPOSITION, TRIAZOLE COMPOUND, OPTICAL FILM, POLARIZING PLATE, OPTICAL LENS, CIRCULARLY POLARIZING PLATE AND IMAGE DISPLAY DEVICE KONICA MINOLTA, INC (JP) 2015-11-26 US disclosed
US-20150338563-A1 RESIN COMPOSITION, TRIAZOLE COMPOUND, OPTICAL FILM, POLARIZING PLATE, OPTICAL LENS, CIRCULARLY POLARIZING PLATE AND IMAGE DISPLAY DEVICE KONICA MINOLTA, INC (JP) 2015-11-26 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 (3 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-20150338563-A1 RESIN COMPOSITION, TRIAZOLE COMPOUND, OPTICAL FILM, POLARIZING PLATE, OPTICAL LENS, CIRCULARLY POLARIZING PLATE AND IMAGE DISPLAY DEVICE HRH3, HELZ, NBAS ADORA3 1101/4885KMT2A 3422/4885MEN1 2695/4885
US-10012777-B2 Resin composition NBAS, WDR5, HRH3 ADORA3 1578/4885KMT2A 2680/4885MEN1 3131/4885
US-20180203175-A1 TRIAZOLE COMPOUND H1-10, TTI2, H1-2 ADORA3 1522/4885KMT2A 1136/4885MEN1 1122/4885

“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.