SCHEMBL4725706

SCHEMBL4725706

NCCNCc1ccc2ccccc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC4R P32245 2/20 0.51
MC5R P33032 2/20 0.51
HDAC1 Q13547 3/20 0.47
HDAC2 Q92769 3/20 0.47
KDM1A O60341 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
MC3R P41968 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
CYSLTR2 Q9NS75 1/20 0.44
CYSLTR1 Q9Y271 1/20 0.44
NCF1 P14598 2/20 0.41
NOS2 P35228 1/20 0.41
BACE1 P56817 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
CYP1A2 P05177 1/20 0.41
NPY1R P25929 1/20 0.40
NPY5R Q15761 1/20 0.40

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
SCHEMBL11935004 0.91 MC4R (0.48) MC4RMC5RHDAC1HDAC2KDM1A
SCHEMBL30388584 0.89 KDM1A (0.50) HDAC1HDAC2KDM1AMAOAMAOB
SCHEMBL13618963 0.88 KDM1A (0.44) MC4RMC5RHDAC1HDAC2KDM1A
SCHEMBL10614795 0.88 HDAC1 (0.48) HDAC1HDAC2KDM1AMAOAMAOB
SCHEMBL10616742 0.87 KDM1A (0.49) HDAC1HDAC2KDM1AMAOAMAOB
SCHEMBL24943587 0.85 HDAC1 (0.55) HDAC1HDAC2KDM1AMAOAMAOB
SCHEMBL3269912 0.83 GPBAR1 (0.48) HDAC1HDAC2KDM1AMAOAMAOB
SCHEMBL30022211 0.83 GPBAR1 (0.48) HDAC1HDAC2KDM1AMAOAMAOB
SCHEMBL1038626 0.83 HDAC1 (0.48) HDAC1HDAC2KDM1AMAOAMAOB
SCHEMBL13614140 0.83 MAOA (0.46) HDAC1HDAC2KDM1AMAOAMAOB

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 5 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
WO-2008021745-A2 HEPATITIS C VIRUS ENTRY INHIBITORS ITHERX PHARMACEUTICALS, INC. (US) 2008-02-21 WO disclosed
US-6399631-B1 3-AMIDO OR 3-SULFONAMIDO; EATING DISORDERS IN HUMANS, DOGS AND CATS PFIZER INC. 2002-06-04 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 MC4R 4356/4885MC5R 4182/4885HDAC1 532/4885

“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.