SCHEMBL12844007

SCHEMBL12844007

CCc1cnc2cc(OC)c(OC)cc2n1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
GLA P06280 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
PGK1 P00558 4/20 0.49
PDGFRB P09619 12/20 0.47
PDGFRA P16234 12/20 0.47
NQO2 P16083 1/20 0.46
PDE10A Q9Y233 1/20 0.45
KDM4E B2RXH2 1/20 0.43
EGFR P00533 1/20 0.42
INSR P06213 1/20 0.42
LCK P06239 1/20 0.42

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
SCHEMBL10272929 0.77 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2GLAMAPTPDGFRB
SCHEMBL10272593 0.77 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2GLAMAPTPDGFRB
SCHEMBL14450852 0.77 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2GLAGAAMAPT
SCHEMBL14450851 0.77 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2GLAGAAMAPT
SCHEMBL14308605 0.77 PDE10A (0.40) ALDH1A1SMN1; SMN2MAPTPDGFRBPDGFRA
SCHEMBL14437924 0.75 PDGFRB (0.63) ALDH1A1SMN1; SMN2GLAGAAMAPT
SCHEMBL1401366 0.75 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2GLAGAAMAPT
SCHEMBL7835404 0.74 PDGFRB (0.49) ALDH1A1SMN1; SMN2GLAGAAMAPT
SCHEMBL23171118 0.73 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2GLAGAAMAPT
SCHEMBL23352099 0.73 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2GLAGAAMAPT

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 ALDH1A1 148/4885SMN1; SMN2 1371/4885GLA 550/4885

“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.