SCHEMBL3094963

SCHEMBL3094963

CCN(C(=O)c1cnccc1C)C1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
HSD11B1 P28845 1/20 0.44
SIRT3 Q9NTG7 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ATM Q13315 1/20 0.41
ADORA2A P29274 3/20 0.41
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL4329249 0.82 HPGD (0.52) TSHRHSD11B1SIRT3TDP1ALDH1A1
SCHEMBL27978853 0.77 L3MBTL1 (0.59) TSHRHSD11B1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL10720319 0.77 L3MBTL1 (0.60) TSHRHSD11B1L3MBTL1ALDH1A1MEN1
SCHEMBL24941110 0.74 SIRT3 (0.54) SIRT3TDP1KMT2A
SCHEMBL4560910 0.74 L3MBTL1 (0.50) TSHRHSD11B1L3MBTL1ALDH1A1MEN1
SCHEMBL10722280 0.74 HSD11B1 (0.70) TSHRHSD11B1L3MBTL1MEN1KMT2A
SCHEMBL5430953 0.73 TSHR (0.54) TSHRHSD11B1L3MBTL1ALDH1A1MEN1
SCHEMBL9001748 0.71 TSHR (0.68) TSHRHSD11B1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL1354645 0.71 HSD11B1 (0.53) TSHRHSD11B1L3MBTL1ALDH1A1MEN1
SCHEMBL1355140 0.71 HSD11B1 (0.50) TSHRHSD11B1L3MBTL1ALDH1A1MEN1

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-20100173888-A1 Nicotinamide Derivatives PFIZER INC 2010-07-08 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-20100173888-A1 Nicotinamide Derivatives NNT, NAMPT, NQO1 TSHR 3631/4885HSD11B1 1099/4885SIRT3 6/4885

“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.