SCHEMBL3055703

SCHEMBL3055703

CCNc1nc(-c2ccc(NC(=O)OCc3cccnc3)cc2)ccc1C(=O)NC

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 3/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ HTT P42858 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ ROCK2 O75116 1/20 0.42
▸ CHRNA7 P36544 2/20 0.41
▸ POLB P06746 1/20 0.40
▸ HDAC1 Q13547 3/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ FAAH O00519 1/20 0.38
▸ PDK1 Q15118 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ SCD O00767 1/20 0.38

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
SCHEMBL3054341 0.85 POLB (0.56) NAMPTKMT2AMEN1POLB
SCHEMBL3055869 0.85 NAMPT (0.48) NAMPTALDH1A1HTTKMT2AMEN1
SCHEMBL3060513 0.83 ROCK2 (0.45) NAMPTKMT2AMEN1ROCK2POLB
SCHEMBL3058637 0.81 POLB (0.58) NAMPTKMT2AMEN1POLB
SCHEMBL3050146 0.79 NAMPT (0.56) NAMPTKMT2AMEN1POLB
SCHEMBL3046585 0.79 NAMPT (0.51) NAMPTHDAC1
SCHEMBL3046590 0.79 NAMPT (0.51) NAMPTHDAC1
SCHEMBL3042684 0.78 POLB (0.54) NAMPTKMT2AMEN1ROCK2POLB
SCHEMBL3049962 0.77 NAMPT (0.56) NAMPTKMT2AMEN1ROCK2POLB
SCHEMBL3055841 0.77 POLB (0.55) NAMPTKMT2AMEN1ROCK2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222319-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-09-02 — — US claimed
EP-2205566-A2 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2010-07-14 — — EP claimed
WO-2009074749-A2 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-06-18 — — WO claimed
US-20100222319-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-09-02 — — US disclosed
EP-2205566-A2 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2010-07-14 — — EP disclosed
WO-2009074749-A2 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-06-18 — — WO 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-20100222319-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF NNT, NAMPT, NQO1 NAMPT 2/4885ALDH1A1 380/4885HTT 2725/4885

“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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