SCHEMBL5357828

SCHEMBL5357828

CCOC(=O)Cc1ccc(C#N)c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.43
TRPV4 Q9HBA0 1/20 0.42
NLRP3 Q96P20 1/20 0.41
KDM1A O60341 1/20 0.41
CYP4Z1 Q86W10 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
PKM P14618 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 2/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
CACNA1H O95180 5/20 0.40
KDM4E B2RXH2 2/20 0.40
CYP2C9 P11712 1/20 0.40
CACNA1G O43497 1/20 0.40

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
SCHEMBL12985044 0.89 MAPT (0.42) NLRP3CYP4Z1SMN1; SMN2NPC1PKM
SCHEMBL6416677 0.86 CYP4F2 (0.52) DAOTRPV4CYP4Z1
SCHEMBL30154495 0.85 GAA (0.48) DAOTRPV4MAPTCACNA1HKDM4E
SCHEMBL5360300 0.85 GAA (0.48) DAOTRPV4MAPTCACNA1HKDM4E
SCHEMBL23832225 0.83 MAPT (0.45) NLRP3CYP4Z1SMN1; SMN2NPC1PKM
SCHEMBL30154437 0.83 MAPT (0.45) NLRP3CYP4Z1SMN1; SMN2NPC1PKM
SCHEMBL20346348 0.82 NLRP3 (0.43) NLRP3CYP4Z1SMN1; SMN2NPC1PKM
SCHEMBL13172117 0.82 TRPA1 (0.48) DAOTRPV4CYP11B1CYP11B2CACNA1H
SCHEMBL286389 0.82 AR (0.45) SMN1; SMN2PKMNFKB1KDM4EALDH1A1
SCHEMBL20349602 0.82 ALDH1A1 (0.48) SMN1; SMN2PKMKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7250518-B2 Nicotinamide acids, amides, and their mimetics active as inhibitors of PDE4 isozymes PFIZER INC. (US) 2007-07-31 US disclosed
US-7250518-B2 Nicotinamide acids, amides, and their mimetics active as inhibitors of PDE4 isozymes PFIZER INC. (US) 2007-07-31 US disclosed
US-7250518-B2 Nicotinamide acids, amides, and their mimetics active as inhibitors of PDE4 isozymes PFIZER INC. (US) 2007-07-31 US disclosed
EP-1229034-B1 Nicotinamide derivatives and their mimetics as inhibitors of PDE4 isozymes PFIZER PROD INC (US) 2005-04-13 EP disclosed
US-20040171798-A1 Nicotinamide acids, amides, and their mimetics active as inhibitors of PDE4 isozymes PFIZER INC 2004-09-02 US disclosed
US-20020111495-A1 Nicotinamide acids, amides, and their mimetics active as inhibitors of PDE4 isozymes PFIZER INC. 2002-08-15 US disclosed
EP-1229034-A1 Nicotinamide derivatives and their mimetics as inhibitors of PDE4 isozymes Pfizer Products Inc. (US) 2002-08-07 EP 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-20040171798-A1 Nicotinamide acids, amides, and their mimetics active as inhibitors of PDE4 isozymes NOX3, PDE4A, NOX1 DAO 412/4885TRPV4 1643/4885NLRP3 1423/4885
US-20020111495-A1 Nicotinamide acids, amides, and their mimetics active as inhibitors of PDE4 isozymes NOX3, NOX1, NOX4 DAO 383/4885TRPV4 1406/4885NLRP3 1605/4885

“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.