SCHEMBL12844275

SCHEMBL12844275

CCOC(=O)c1cnc(C(F)(F)F)nc1CC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JUN P05412 9/20 0.58
NFKB1 P19838 9/20 0.58
NFKB2 Q00653 9/20 0.58
RELA Q04206 9/20 0.58
FOS P01100 5/20 0.58
KDM4E B2RXH2 2/20 0.56
HSP90AA1 P07900 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
ATM Q13315 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPC1 O15118 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL423492 0.85 JUN (0.60) JUNNFKB1NFKB2RELAFOS
SCHEMBL4425453 0.84 JUN (0.59) JUNNFKB1NFKB2RELAFOS
SCHEMBL8543216 0.84 KDM4E (0.72) JUNNFKB1NFKB2RELAFOS
SCHEMBL18309313 0.83 NFKB1 (0.52) JUNNFKB1NFKB2RELAFOS
SCHEMBL131646 0.83 NFKB1 (0.58) JUNNFKB1NFKB2RELAFOS
SCHEMBL30574458 0.83 NFKB1 (0.58) JUNNFKB1NFKB2RELAFOS
SCHEMBL3283794 0.83 JUN (0.58) JUNNFKB1NFKB2RELAFOS
SCHEMBL17393706 0.83 JUN (0.58) JUNNFKB1NFKB2RELAFOS
SCHEMBL14809757 0.82 GABRP (0.45) JUNNFKB1NFKB2RELAFOS
SCHEMBL15633138 0.82 JUN (0.57) JUNNFKB1NFKB2RELAFOS

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 JUN 3892/4885NFKB1 838/4885NFKB2 1084/4885

“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.