SCHEMBL16495455

SCHEMBL16495455

CCN1CCCC(CNC(=O)c2ccc(-c3cccc(F)c3)nc2)C1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.54
LMNA P02545 2/20 0.51
ALDH1A1 P00352 3/20 0.49
GAA P10253 2/20 0.49
ATM Q13315 1/20 0.48
GABRA5 P31644 1/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 2/20 0.47
BCHE P06276 3/20 0.47
MAOB P27338 1/20 0.47
MLNR O43193 2/20 0.45
MCHR1 Q99705 1/20 0.45
WNT3A P56704 1/20 0.44
KDM2B Q8NHM5 1/20 0.44

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
SCHEMBL16496126 0.90 HPGDS (0.51) HPGDSLMNAALDH1A1GAAATM
SCHEMBL16495938 0.87 HPGDS (0.51) HPGDSLMNAALDH1A1GAAGABRA5
SCHEMBL16495981 0.85 HPGDS (0.51) HPGDSLMNAALDH1A1GAAGABRA5
SCHEMBL16495797 0.84 HPGDS (0.54) HPGDSLMNAKMT2AMEN1MCHR1
SCHEMBL1542860 0.84 GABRA5 (0.59) HPGDSGABRA5KMT2AMEN1
SCHEMBL2993588 0.83 HPGDS (0.61) HPGDSGABRA5MLNR
SCHEMBL2993590 0.83 HPGDS (0.61) HPGDSGABRA5MLNR
SCHEMBL16496155 0.83 HPGDS (0.56) HPGDSALDH1A1MLNRMCHR1WNT3A
SCHEMBL16496176 0.83 MAP4K4 (0.58) HPGDSGABRA5MCHR1WNT3A
SCHEMBL16496207 0.83 HPGDS (0.53) HPGDSGABRA5MLNRMCHR1WNT3A

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 1073/4885LMNA 1347/4885ALDH1A1 172/4885

“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.