SCHEMBL2365312

SCHEMBL2365312

NCCN1C(=O)c2cccc3cc(N)cc(c23)C1=O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HEXA P06865 6/20 0.74
HEXB P07686 6/20 0.74
CYP2D6 P10635 1/20 0.71
FTO Q9C0B1 1/20 0.71
MEN1 O00255 2/20 0.70
POLB P06746 2/20 0.70
KMT2A Q03164 2/20 0.70
NPSR1 Q6W5P4 2/20 0.70
MAPT P10636 2/20 0.70
RAB9A P51151 2/20 0.70
AHR P35869 1/20 0.70
RECQL P46063 1/20 0.70
CYP1A2 P05177 1/20 0.68
TNNI3 P19429 1/20 0.68
MAPK1 P28482 1/20 0.68
STAT6 P42226 1/20 0.68
TNNT2 P45379 1/20 0.68
TNNC1 P63316 1/20 0.68
MPO P05164 1/20 0.66
LCK P06239 2/20 0.59

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
SCHEMBL28781804 0.88 HEXA (0.57) HEXAHEXBCYP2D6FTOMEN1
SCHEMBL626424 0.86 HEXA (1.00) HEXAHEXBMEN1POLBKMT2A
SCHEMBL9502888 0.86 HEXA (0.73) HEXAHEXBCYP2D6FTOMEN1
SCHEMBL8670307 0.86 CYP2D6 (0.61) HEXAHEXBCYP2D6FTOMEN1
SCHEMBL8670304 0.85 CYP2D6 (0.64) HEXAHEXBCYP2D6FTOMEN1
SCHEMBL9092319 0.85 SIRT1 (0.63) HEXAHEXBCYP2D6FTOMEN1
Hydrochloric Acid SCHEMBL28259369 0.84 HEXA (0.96) HEXAHEXBMEN1POLBKMT2A
SCHEMBL9091823 0.84 SIRT1 (0.65) HEXAHEXBCYP2D6FTOMEN1
SCHEMBL19872905 0.83 POLB (0.70) HEXAHEXBCYP2D6FTOMEN1
Amonafide SCHEMBL27226 0.83 FTO (1.00) HEXAHEXBCYP2D6FTOMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130005759-A1 SMALL MOLECULE MODIFIERS OF MICRORNA MIR-122 NORTH CAROLINA STATE UNIVERSITY 2013-01-03 US claimed
US-20130005759-A1 SMALL MOLECULE MODIFIERS OF MICRORNA MIR-122 NORTH CAROLINA STATE UNIVERSITY 2013-01-03 US disclosed
US-20130005759-A1 SMALL MOLECULE MODIFIERS OF MICRORNA MIR-122 NORTH CAROLINA STATE UNIVERSITY 2013-01-03 US disclosed
US-20130005759-A1 SMALL MOLECULE MODIFIERS OF MICRORNA MIR-122 NORTH CAROLINA STATE UNIVERSITY 2013-01-03 US disclosed
WO-2011091209-A1 SMALL MOLECULE MODIFIERS OF MICRORNA MIR-122 NORTH CAROLINA STATE UNIVERSITY (US) 2011-07-28 WO disclosed
WO-2011091209-A1 SMALL MOLECULE MODIFIERS OF MICRORNA MIR-122 NORTH CAROLINA STATE UNIVERSITY (US) 2011-07-28 WO disclosed
US-20090156630-A1 ANTI-TUMOUR POLYCYCLIC CARBOXAMIDES BAGULEY BRUCE CHARLES 2009-06-18 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 (2 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-20090156630-A1 ANTI-TUMOUR POLYCYCLIC CARBOXAMIDES MKI67, MCL1, CCNI HEXA 1669/4885HEXB 2371/4885CYP2D6 1584/4885
US-20130005759-A1 SMALL MOLECULE MODIFIERS OF MICRORNA MIR-122 HAVCR2, CCAR2, EIF2AK2 HEXA 3252/4885HEXB 3075/4885CYP2D6 2330/4885

“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.