SCHEMBL1543075

SCHEMBL1543075

CCCOCCCNC(=O)c1ccc(-c2cc(F)cc(F)c2)nc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
KMT2A Q03164 2/20 0.45
HPGD P15428 4/20 0.45
MAPT P10636 2/20 0.44
LDHA P00338 2/20 0.44
GAA P10253 1/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
NAMPT P43490 1/20 0.43
ALDH1A1 P00352 1/20 0.42
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
HTT P42858 1/20 0.41
HPGDS O60760 1/20 0.40
GABRA5 P31644 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
SCHEMBL16496718 0.92 MAPT (0.49) MAPK14SMN1; SMN2KMT2AHPGDMAPT
SCHEMBL16496426 0.91 HPGDS (0.52) MAPK14SMN1; SMN2KMT2AHPGDMAPT
SCHEMBL16495974 0.83 HPGDS (0.53) MAPK14SMN1; SMN2KMT2AHPGDMAPT
SCHEMBL16495439 0.79 HPGDS (0.56) MAPTRAB9ANPC1LMNAALDH1A1
SCHEMBL5426580 0.79 KDM4E (0.67) SMN1; SMN2KMT2AHPGDMAPTGAA
SCHEMBL16495487 0.79 HPGDS (0.58) MAPK14SMN1; SMN2KMT2AMAPTRAB9A
SCHEMBL13450252 0.78 SMN1; SMN2 (0.52) SMN1; SMN2KMT2AHPGDMAPTGAA
SCHEMBL16496188 0.78 NPC1 (0.56) MAPK14SMN1; SMN2RAB9ANPC1LMNA
SCHEMBL16496067 0.78 HPGDS (0.57) MAPK14SMN1; SMN2MAPTRAB9ANPC1
SCHEMBL16495723 0.78 MAPT (0.45) SMN1; SMN2KMT2AMAPTGAANAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110306597-A1 Nicotinamide Derivatives CRAWFORTH JAMES MICHAEL (GB) 2011-12-15 US disclosed
US-20110306597-A1 Nicotinamide Derivatives CRAWFORTH JAMES MICHAEL (GB) 2011-12-15 US disclosed
EP-2307378-A1 NICOTINAMIDE DERIVATIVES Pfizer Limited (GB) 2011-04-13 EP disclosed
WO-2009153721-A1 NICOTINAMIDE DERIVATIVES PFIZER LIMITED (GB) 2009-12-23 WO disclosed
WO-2009153721-A1 NICOTINAMIDE DERIVATIVES PFIZER LIMITED (GB) 2009-12-23 WO 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-20110306597-A1 Nicotinamide Derivatives NNT, NAMPT, NQO1 MAPK14 2795/4885SMN1; SMN2 1659/4885KMT2A 3206/4885

“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.