SCHEMBL16496138

SCHEMBL16496138

O=C(NC1CCN(Cc2ccc(Cl)c(Cl)c2)C1=O)c1ccc(-c2ccccc2)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 3/20 0.49
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC8 Q9BY41 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ HPGDS O60760 2/20 0.47
▸ TPSAB1 Q15661 2/20 0.46
▸ TPSD1 Q9BZJ3 2/20 0.46
▸ TPSG1 Q9NRR2 2/20 0.46
▸ PLG P00747 1/20 0.46
▸ PRSS1 P07477 1/20 0.46
▸ USP30 Q70CQ3 1/20 0.46
▸ HCRTR1 O43613 1/20 0.44
▸ MCHR1 Q99705 1/20 0.43
▸ SIGMAR1 Q99720 2/20 0.42
▸ PRKAB2 O43741 1/20 0.42
▸ PRKAG1 P54619 1/20 0.42
▸ PRKAA2 P54646 1/20 0.42
▸ PRKAA1 Q13131 1/20 0.42

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
SCHEMBL16496114 0.91 SSTR3 (0.45) SRCMEN1KMT2AHDAC1HDAC8
SCHEMBL16495915 0.91 SRC (0.51) SRCHDAC1HDAC8HDAC6HPGDS
SCHEMBL16496171 0.91 HPGDS (0.53) SRCMEN1KMT2AHDAC1HDAC8
SCHEMBL16495758 0.89 HPGDS (0.54) SRCHDAC1HDAC6HPGDSTPSAB1
SCHEMBL16495666 0.82 HPGDS (0.55) SRCHDAC1HDAC8HDAC6HPGDS
SCHEMBL16495485 0.82 SRC (0.50) SRCHDAC1HDAC8HDAC6HPGDS
SCHEMBL16495774 0.82 MCHR1 (0.45) SRCHDAC1HDAC8HDAC6HPGDS
SCHEMBL16496076 0.80 HPGDS (0.54) SRCHDAC1HDAC8HDAC6HPGDS
SCHEMBL16495584 0.79 SRC (0.53) SRCHDAC1HDAC8HDAC6HPGDS
SCHEMBL16496317 0.79 HPGDS (0.56) SRCHDAC1HDAC6HPGDSTPSAB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110306597-A1 Nicotinamide Derivatives CRAWFORTH JAMES MICHAEL (GB) 2011-12-15 — — 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-20110306597-A1 Nicotinamide Derivatives NNT, NAMPT, NQO1 SRC 4371/4885MEN1 2257/4885KMT2A 3206/4885

“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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