SCHEMBL4929072

SCHEMBL4929072

Cc1cc2nc(CCC(N)C(=O)NO)n(CC3CCCCC3)c2cc1C

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 4/20 0.44
▸ CNR2 P34972 9/20 0.41
▸ HCRTR1 O43613 4/20 0.39
▸ HCRTR2 O43614 4/20 0.39
▸ MEN1 O00255 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CNR1 P21554 2/20 0.37
▸ HDAC3 O15379 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC10 Q969S8 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ P2RX3 P56373 1/20 0.35

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
SCHEMBL4929059 1.00 KCNH2 (0.44) KCNH2CNR2HCRTR1HCRTR2MEN1
SCHEMBL4937187 0.85 HDAC3 (0.52) HDAC3HDAC1HDAC10HDAC6
SCHEMBL4926659 0.85 HDAC3 (0.52) HDAC3HDAC1HDAC10HDAC6
SCHEMBL4926676 0.85 HDAC3 (0.52) HDAC3HDAC1HDAC10HDAC6
SCHEMBL4930747 0.84 HDAC1 (0.40) KCNH2POLBHDAC1HDAC6
SCHEMBL4930759 0.84 HDAC1 (0.40) KCNH2POLBHDAC1HDAC6
SCHEMBL4930316 0.81 HDAC1 (0.42) MEN1KMT2AHDAC3HDAC1HDAC10
SCHEMBL4930303 0.81 HDAC1 (0.42) MEN1KMT2AHDAC3HDAC1HDAC10
SCHEMBL4934917 0.80 HDAC1 (0.43) KCNH2CNR2MEN1KMT2AHDAC3
SCHEMBL4934905 0.80 HDAC1 (0.43) KCNH2CNR2MEN1KMT2AHDAC3

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-20080132539-A1 Hydroxamic Acid Derivative And Age Generation Inhibitor Containing The Derivative KUREHA CORPORATION (JP) 2008-06-05 — — US disclosed
EP-1707560-A1 HYDROXAMIC ACID DERIVATIVE AND AGE GENERATION INHIBITOR CONTAINING THE DERIVATIVE Kureha Corporation (JP) 2006-10-04 — — EP 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-20080132539-A1 Hydroxamic Acid Derivative And Age Generation Inhibitor Containing The Derivative HDAC5, HDAC1, HDAC9 KCNH2 4725/4885CNR2 4827/4885HCRTR1 4397/4885

“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.

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