SCHEMBL16495706

SCHEMBL16495706

O=C(NCc1ccc(Cl)c(Cl)c1)c1ccc(-c2cccc(F)c2)nc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 6/20 0.56
▸ EIF4E P06730 1/20 0.50
▸ PRKAA2 P54646 1/20 0.49
▸ MAOB P27338 1/20 0.48
▸ WDR5 P61964 4/20 0.47
▸ LMNA P02545 1/20 0.47
▸ EPHX2 P34913 1/20 0.46
▸ TAOK1 Q7L7X3 1/20 0.46
▸ HDAC4 P56524 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC7 Q8WUI4 1/20 0.46
▸ HDAC11 Q96DB2 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ HDAC9 Q9UKV0 1/20 0.46
▸ HDAC5 Q9UQL6 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL16495855 0.89 HPGDS (0.61) HPGDSPRKAA2EPHX2L3MBTL1
SCHEMBL16495631 0.89 HPGDS (0.67) HPGDSPRKAA2
SCHEMBL16495656 0.88 HPGDS (0.56) HPGDSEIF4EPRKAA2MAOBLMNA
SCHEMBL16495831 0.88 HPGDS (0.73) HPGDSMAOBLMNAEPHX2TAOK1
SCHEMBL16496093 0.87 HPGDS (0.56) HPGDSEIF4EMAOBWDR5LMNA
SCHEMBL16495630 0.85 HPGDS (0.77) HPGDSPRKAA2EPHX2L3MBTL1
SCHEMBL16496190 0.85 HPGDS (0.61) HPGDSPRKAA2LMNAHDAC1
SCHEMBL16495417 0.85 HPGDS (0.61) HPGDSPRKAA2EPHX2HDAC1
SCHEMBL16496295 0.85 CLK4 (0.56) HPGDSEIF4EWDR5LMNA
SCHEMBL16495842 0.83 HPGDS (0.77) HPGDSL3MBTL1

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 HPGDS 1073/4885EIF4E 4567/4885PRKAA2 2350/4885

“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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