SCHEMBL12844167

SCHEMBL12844167

CCCc1ccnc2ncccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.40
KDM4E B2RXH2 5/20 0.39
NPC1 O15118 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
BRD4 O60885 1/20 0.39
MITF O75030 1/20 0.39
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
HSP90AA1 P07900 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
LMNA P02545 2/20 0.36
IDO1 P14902 1/20 0.36
MAPT P10636 1/20 0.35

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
SCHEMBL8372588 0.84 GSK3A (0.40) KDM4ENPC1L3MBTL1BRD4MITF
SCHEMBL3142657 0.81 KDM4E (0.41) KDM4ENPC1L3MBTL1HSP90AA1LOXL2
SCHEMBL528996 0.78 LOXL2 (0.60) KDM4ELOXL2ALDH1A1GAAHPGD
SCHEMBL15415316 0.78 KDM4E (0.53) KDM4ENPC1L3MBTL1HSP90AA1LOXL2
Bromide SCHEMBL7457488 0.77 LOXL2 (0.58) KDM4ELOXL2ALDH1A1GAAHPGD
Iodide SCHEMBL1343657 0.77 LOXL2 (0.58) KDM4ELOXL2ALDH1A1GAAHPGD
SCHEMBL6114797 0.77 CYP19A1 (0.54) GRM5KDM4EHSP90AA1LOXL2ALDH1A1
SCHEMBL3151202 0.76 LOXL2 (0.38) KDM4ENPC1L3MBTL1HSP90AA1LOXL2
SCHEMBL14995335 0.76 LOXL2 (0.62) KDM4ENPC1L3MBTL1HSP90AA1LOXL2
SCHEMBL24292895 0.76 GABRA1 (0.38) KDM4ENPC1L3MBTL1PDE4APDE4B

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 GRM5 3073/4885KDM4E 3026/4885NPC1 255/4885

“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.