SCHEMBL13618963

SCHEMBL13618963

NCNCCNCc1ccc2ccccc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
HDAC1 Q13547 3/20 0.44
HDAC2 Q92769 3/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
CYSLTR2 Q9NS75 1/20 0.42
CYSLTR1 Q9Y271 1/20 0.42
NCF1 P14598 2/20 0.40
NOS2 P35228 1/20 0.40
BACE1 P56817 1/20 0.40
NPY1R P25929 1/20 0.40
NPY5R Q15761 1/20 0.40
CYP1A2 P05177 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 2/20 0.39
TP53 P04637 2/20 0.39
RAB9A P51151 2/20 0.39

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
SCHEMBL30388584 0.91 KDM1A (0.50) KDM1AMAOAMAOBHDAC1HDAC2
SCHEMBL10616742 0.90 KDM1A (0.49) KDM1AMAOAMAOBHDAC1HDAC2
SCHEMBL4725706 0.88 MC4R (0.51) KDM1AMAOAMAOBHDAC1HDAC2
SCHEMBL24943587 0.84 HDAC1 (0.55) KDM1AMAOAMAOBHDAC1HDAC2
SCHEMBL30331437 0.83 NCF1 (0.46) KDM1AMAOAMAOBHDAC1HDAC2
SCHEMBL24197398 0.83 NCF1 (0.46) KDM1AMAOAMAOBHDAC1HDAC2
SCHEMBL10614795 0.83 HDAC1 (0.48) KDM1AMAOAMAOBHDAC1HDAC2
SCHEMBL11935004 0.83 MC4R (0.48) KDM1AMAOAMAOBHDAC1HDAC2
SCHEMBL1037883 0.81 HDAC1 (0.48) KDM1AMAOAMAOBHDAC1HDAC2
SCHEMBL13614140 0.81 MAOA (0.46) KDM1AMAOAMAOBHDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8753641-B2 Combination of intercalating organometallic complexes and tumor seeking biomolecules for DNA cleavage and radiotherapy UNIVERSITY OF ZURICH (CH) 2014-06-17 US disclosed
US-20090280057-A1 Combination of Intercalating Organometallic Complexes and Tumor Seeking Biomolecules for DNA Cleavage and Radiotherapy MALLINCKRODT INC. (US) 2009-11-12 US disclosed
US-7582295-B2 Combination of intercalating organometallic complexes and tumor seeking biomolecules for DNA cleavage and radiotherapy UNIVERSITY OF ZURICH (CH) 2009-09-01 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-20090280057-A1 Combination of Intercalating Organometallic Complexes and Tumor Seeking Biomolecules for DNA Cleavage and Radiotherapy ERCC4, DDB1, XRCC6 KDM1A 4577/4885MAOA 4287/4885MAOB 3777/4885

“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.