SCHEMBL2072845

SCHEMBL2072845

NC(=O)c1ccc(N2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)nc1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 8/20 0.66
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
USP30 Q70CQ3 5/20 0.49
SMO Q99835 1/20 0.49
ADORA3 P0DMS8 1/20 0.47
MAP4K4 O95819 1/20 0.47
WNT3A P56704 2/20 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
SCHEMBL2070824 0.92 HPGDS (0.67) HPGDSHDAC3HDAC1HDAC2USP30
SCHEMBL2072029 0.90 HPGDS (0.65) HPGDSHDAC3HDAC1HDAC2USP30
SCHEMBL2073326 0.88 HPGDS (0.63) HPGDSHDAC3HDAC1HDAC2HRH3
SCHEMBL2072480 0.88 HPGDS (0.63) HPGDSHDAC3HDAC1HDAC2USP30
SCHEMBL2071519 0.88 HPGDS (0.62) HPGDSHDAC3HDAC1HDAC2USP30
SCHEMBL2069954 0.87 HPGDS (0.88) HPGDSUSP30SMOWNT3A
SCHEMBL2072599 0.86 HPGDS (0.60) HPGDSUSP30SMOWNT3A
SCHEMBL2072669 0.86 HPGDS (0.62) HPGDSHDAC3HDAC1HDAC2USP30
SCHEMBL2073957 0.86 HPGDS (0.60) HPGDSHDAC3HDAC1HDAC2HRH3
SCHEMBL2072329 0.86 HPGDS (0.60) HPGDSHDAC3HDAC1HDAC2USP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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-20080146569-A1 Nicotinamide Derivatives NNT, NAMPT, NADK HPGDS 984/4885HDAC3 131/4885HDAC1 95/4885

“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.