SCHEMBL10000997

SCHEMBL10000997

c1ccc(-c2cc(-c3ccccc3)c3ccc4c(-c5cc(-c6cc(-c7nc(-c8ccccc8)nc8c7ccc7c(-c9ccccc9)cc(-c9ccccc9)nc78)c7ccccc7c6)cc6ccccc56)nc(-c5ccccc5)nc4c3n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPT P10636 4/20 0.40
HPGD P15428 4/20 0.40
KDM4E B2RXH2 3/20 0.40
MPI P34949 1/20 0.40
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
NTSR1 P30989 1/20 0.37
ACACA Q13085 3/20 0.36
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
MAPK1 P28482 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
CYP11B1 P15538 1/20 0.35
TOP1 P11387 1/20 0.34
TP53 P04637 1/20 0.33
TSHR P16473 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
SCHEMBL29662030 0.88 ALDH1A1 (0.43) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL23302 0.88 ALDH1A1 (0.43) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL10030710 0.86 ADORA2A (0.39) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL10000998 0.86 KDM4E (0.30) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL10000978 0.85 ADORA2A (0.41) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL595855 0.85 ADORA2A (0.45) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL23633557 0.83 MEN1 (0.51) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL22101156 0.83 ALDH1A1 (0.40) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL10000975 0.82 MEN1 (0.45) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL10000984 0.82 MEN1 (0.43) MEN1KMT2AALDH1A1MAPTHPGD

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-8475686-B2 Bridged pyridoquinazoline or phenanthroline compounds and organic semiconducting material comprising that compound NOVALED AG (DE) 2013-07-02 US disclosed
US-8475686-B2 Bridged pyridoquinazoline or phenanthroline compounds and organic semiconducting material comprising that compound NOVALED AG (DE) 2013-07-02 US disclosed
US-20120012794-A1 Bridged Pyridoquinazoline or Phenanthroline Compounds and Organic Semiconducting Material Comprising That Compound NOVALED AG (DE) 2012-01-19 US disclosed
US-20120012794-A1 Bridged Pyridoquinazoline or Phenanthroline Compounds and Organic Semiconducting Material Comprising That Compound NOVALED AG (DE) 2012-01-19 US disclosed
WO-2010063461-A1 BRIDGED PYRIDOQUINAZOLINE OR PHENANTHROLINE COMPOUNDS AND ORGANIC SEMICONDUTING MATERIAL COMPRISING THAT COMPOUND NOVALED AG (DE) 2010-06-10 WO disclosed
EP-2194055-A1 Bridged pyridoquinazoline or phenanthroline compounds and organic semiconducting material comprising that compound Novaled AG (DE) 2010-06-09 EP 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-20120012794-A1 Bridged Pyridoquinazoline or Phenanthroline Compounds and Organic Semiconducting Material Comprising That Compound PNPO, SDHB, PAH MEN1 243/4885KMT2A 838/4885ALDH1A1 1384/4885

“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.