SCHEMBL1542860

SCHEMBL1542860

O=C(NCC1CC1)c1ccc(-c2cccc(F)c2)nc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 6/20 0.59
HPGDS O60760 3/20 0.58
CYP2C9 P11712 2/20 0.54
MAPK14 Q16539 2/20 0.54
MAPK11 Q15759 1/20 0.54
AR P10275 1/20 0.48
VCP P55072 1/20 0.48
MAP4K4 O95819 2/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL16495498 0.91 GABRA5 (0.52) GABRA5HPGDSCYP2C9MAPK14MAPK11
SCHEMBL1543132 0.91 GABRA5 (0.56) GABRA5HPGDSCYP2C9MAPK14MAPK11
SCHEMBL16495495 0.91 GABRA5 (0.52) GABRA5HPGDSCYP2C9MAPK14MAPK11
SCHEMBL16496176 0.91 MAP4K4 (0.58) GABRA5HPGDSCYP2C9MAPK14MAPK11
SCHEMBL16496399 0.89 HPGDS (0.55) GABRA5HPGDSCYP2C9MAPK14MAPK11
SCHEMBL16496065 0.88 HPGDS (0.54) GABRA5HPGDSCYP2C9MAPK14MAPK11
SCHEMBL16495594 0.87 GABRA5 (0.53) GABRA5HPGDSCYP2C9
SCHEMBL16495629 0.86 HPGDS (0.56) GABRA5HPGDSMAP4K4
SCHEMBL14802423 0.85 HPGDS (0.51) GABRA5HPGDSCYP2C9MAPK14MAPK11
SCHEMBL246322 0.85 HPGDS (0.51) GABRA5HPGDSCYP2C9MAPK14MAPK11

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 6 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
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 GABRA5 1938/4885HPGDS 1073/4885CYP2C9 405/4885

“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.