SCHEMBL10000998

SCHEMBL10000998

[C-]#[N+]c1c(-c2ccccc2)nc2c(ccc3c(-c4ccccc4)cc(-c4ccccc4)nc32)c1-c1cc(-c2cc(-c3nc(-c4ccccc4)nc4c3ccc3c(-c5ccccc5)cc(-c5ccccc5)nc34)c3ccccc3c2)cc2ccccc12

nearest known ligand 0.30

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
MPI P34949 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL10000986 0.92 KDM4E (0.35) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL10000993 0.87 TOP1 (0.32) MEN1KMT2A
SCHEMBL10000997 0.86 MEN1 (0.40) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL10030710 0.83 ADORA2A (0.39) KDM4EMEN1ALDH1A1HPGDKMT2A
SCHEMBL10000979 0.82 MEN1 (0.32) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL10000992 0.82 MEN1 (0.32) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL10001009 0.81 MEN1 (0.32) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL10001006 0.81 ADORA2A (0.32) MEN1KMT2A
SCHEMBL10001000 0.80 ADK (0.32) MEN1ALDH1A1KMT2A
SCHEMBL10001007 0.80 ATR (0.31) MEN1KMT2A

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-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

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 KDM4E 2792/4885MEN1 243/4885ALDH1A1 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.