SCHEMBL2072004

SCHEMBL2072004

CC(C)(C)OC(=O)c1ccc(-c2ccccc2F)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 1/20 0.43
DHODH Q02127 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
KMT2A Q03164 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PDK2 Q15119 1/20 0.40
WNT3A P56704 6/20 0.39
CYP11B1 P15538 3/20 0.39
MLNR O43193 1/20 0.39
CYP11B2 P19099 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
LDHA P00338 1/20 0.38

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
SCHEMBL29596848 0.85 MAPK1 (0.51) FFAR2DHODHNPC1RAB9AMEN1
SCHEMBL2070761 0.84 GABRA5 (0.44) DHODHNPC1RAB9APDK2LDHA
SCHEMBL2070102 0.78 LDHA (0.62) FFAR2DHODHNPC1RAB9AMEN1
SCHEMBL3169981 0.77 PTPN1 (0.47) DHODHNPC1RAB9AALDH1A1MAPT
SCHEMBL1543357 0.77 LDHA (0.52) NPC1RAB9ASMN1; SMN2WNT3ALDHA
SCHEMBL646488 0.76 CA12 (0.43)
SCHEMBL30812042 0.76 CA12 (0.43)
SCHEMBL8164613 0.74 NPC1 (0.40) FFAR2DHODHNPC1RAB9AMEN1
SCHEMBL5934225 0.73 TRPV1 (0.58) NPC1RAB9AMEN1MAPTKMT2A
SCHEMBL31188400 0.72 RXFP1 (0.47) NPC1RAB9AMAPTSMN1; SMN2LDHA

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 4 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
EP-2129660-A2 NICOTINAMIDE DERIVATIVES AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES Pfizer Products Inc. (US) 2009-12-09 EP disclosed
WO-2008075172-A2 NICOTINAMIDE DERIVATIVES AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES PFIZER PRODUCTS INC. (US) 2008-06-26 WO 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 FFAR2 310/4885DHODH 303/4885NPC1 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.