SCHEMBL12355751

SCHEMBL12355751

[C-]#[N+]c1cc2nc3c4nc5cc(C#N)c(C#N)cc5nc4c4nc5cc(C#N)c(C#N)cc5nc4c3nc2cc1[N+]#[C-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 2/20 0.37
HTT P42858 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
GRM6 O15303 1/20 0.34
GRIA1 P42261 1/20 0.34
GRIA2 P42262 1/20 0.34
GRIA3 P42263 1/20 0.34
GRIA4 P48058 1/20 0.34
PGK1 P00558 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
APEX1 P27695 1/20 0.33
BLM P54132 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
DYRK1A Q13627 1/20 0.32
LMNA P02545 1/20 0.30
THRB P10828 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
SCHEMBL13292990 0.84 DYRK1A (0.40) ALDH1A1KDM4EHTTRXFP1MAPT
SCHEMBL12366184 0.83 ALDH1A1 (0.46) ALDH1A1KDM4EHTTRXFP1GRM6
SCHEMBL12197393 0.79 USP8 (0.31) ALDH1A1KDM4E
SCHEMBL11910089 0.77 KDM4E (0.33) ALDH1A1KDM4EHTTMAPTLMNA
SCHEMBL26749758 0.75 ALDH1A1 (0.41) ALDH1A1KDM4EHTTRXFP1GRM6
SCHEMBL26749759 0.75 ALDH1A1 (0.41) ALDH1A1KDM4EHTTRXFP1GRM6
SCHEMBL12212002 0.75 ALDH1A1 (0.40) ALDH1A1KDM4EHTTRXFP1POLB
SCHEMBL12211997 0.73 KDM4E (0.36) ALDH1A1KDM4EHTTRXFP1PGK1
SCHEMBL12212006 0.71 HSP90AA1 (0.39) ALDH1A1KDM4EHTTRXFP1POLB
SCHEMBL12211999 0.70 CA1 (0.35) ALDH1A1KDM4EHTTRXFP1POLB

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-7994423-B2 Charge-transport materials, methods of fabrication thereof, and methods of use thereof GEORGIA TECH RESEARCH CORPORATION (US) 2011-08-09 US disclosed
US-20090065057-A1 Charge-Transport Materials, Methods of Fabrication Thereof, and Methods of Use Thereof GEORGIA TECH RESEARCH CORPORATION 2009-03-12 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-20090065057-A1 Charge-Transport Materials, Methods of Fabrication Thereof, and Methods of Use Thereof SLC9A3, SLC18A2, SLC9A2 ALDH1A1 3325/4885KDM4E 3683/4885HTT 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.