SCHEMBL2073441

SCHEMBL2073441

Cc1cc(C)c(C#N)c(N2C[C@H](NC(=O)c3ccc(-c4cccc(F)c4)nc3)[C@@H](O)C2)n1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 3/20 0.46
HDAC2 Q92769 1/20 0.40
USP30 Q70CQ3 1/20 0.39
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 4/20 0.38
TDP1 Q9NUW8 1/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
ADORA3 P0DMS8 1/20 0.37
MLNR O43193 1/20 0.37
POLQ O75417 1/20 0.36
MAP4K4 O95819 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
GRM5 P41594 1/20 0.36
PDE10A Q9Y233 1/20 0.36
WNT3A P56704 1/20 0.36

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
SCHEMBL2073437 1.00 HPGDS (0.46) HPGDSHDAC2USP30KDM4EALDH1A1
SCHEMBL2073445 1.00 HPGDS (0.46) HPGDSHDAC2USP30KDM4EALDH1A1
SCHEMBL2073527 0.91 HPGDS (0.53) HPGDSUSP30KDM4EALDH1A1TDP1
SCHEMBL13572979 0.88 HPGDS (0.45) HPGDSHDAC2USP30ADORA3MAP4K4
SCHEMBL16496000 0.88 HPGDS (0.45) HPGDSHDAC2USP30ADORA3MAP4K4
SCHEMBL16496810 0.88 HPGDS (0.45) HPGDSHDAC2USP30ADORA3MAP4K4
SCHEMBL2073348 0.86 HPGDS (0.60) HPGDSUSP30KDM4EALDH1A1TDP1
SCHEMBL1364700 0.81 KDM4E (0.42) HPGDSKDM4EALDH1A1TDP1HPGD
SCHEMBL2073124 0.79 HPGDS (0.51) HPGDSHDAC2USP30ADORA3MAP4K4
SCHEMBL12775227 0.78 HPGDS (0.55) HPGDSUSP30MLNRGRM5WNT3A

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-20110306597-A1 Nicotinamide Derivatives CRAWFORTH JAMES MICHAEL (GB) 2011-12-15 US disclosed
US-20110306597-A1 Nicotinamide Derivatives CRAWFORTH JAMES MICHAEL (GB) 2011-12-15 US disclosed
US-20110306597-A1 Nicotinamide Derivatives CRAWFORTH JAMES MICHAEL (GB) 2011-12-15 US disclosed
US-7902373-B2 asthma; for treating prostaglandin D2 mediated diseases; e.g. 6-(3-fluorophenyl)-N-[1-(1-methyl-1H-tetrazol-5-yl)piperidin-4-yl]nicotinamide PFIZER INC (US) 2011-03-08 US disclosed
WO-2009153721-A1 NICOTINAMIDE DERIVATIVES PFIZER LIMITED (GB) 2009-12-23 WO disclosed
US-20080146569-A1 Nicotinamide Derivatives PFIZER INC. 2008-06-19 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 (2 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-20080146569-A1 Nicotinamide Derivatives NNT, NAMPT, NADK HPGDS 984/4885HDAC2 143/4885USP30 4416/4885
US-20110306597-A1 Nicotinamide Derivatives NNT, NAMPT, NQO1 HPGDS 1073/4885HDAC2 124/4885USP30 4477/4885

“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.