SCHEMBL4563183

SCHEMBL4563183

Nc1ccnc(=O)n1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.53
CYP1A2 P05177 1/20 0.49
HTT P42858 2/20 0.46
BRD9 Q9H8M2 1/20 0.45
ALOX5 P09917 1/20 0.45
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
NOTUM Q6P988 2/20 0.44
XDH P47989 1/20 0.44
AR P10275 1/20 0.44
PLA2G10 O15496 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NOS3 P29474 1/20 0.42
NOS2 P35228 1/20 0.42
MAT2A P31153 2/20 0.42
CYP17A1 P05093 1/20 0.42
GSR P00390 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
SCHEMBL4563145 0.81 DHFR (0.44) NOTUMXDH
SCHEMBL4562527 0.79 ALDH1A1 (0.45) GAACYP1A2NOTUMXDHMEN1
SCHEMBL4562987 0.78 ALDH1A1 (0.46) ALOX5NOTUMXDHMAT2A
SCHEMBL17537376 0.74 CYP1A2 (0.58) GAACYP1A2HTTBRD9ALOX5
SCHEMBL11551929 0.74 HTT (0.56) GAACYP1A2HTTBRD9NOTUM
SCHEMBL5871981 0.74 GAA (0.50) GAACYP1A2HTTBRD9ALOX5
SCHEMBL28744564 0.74 GAA (0.63) GAACYP1A2HTTBRD9ALOX5
SCHEMBL5534269 0.73 CYP1A2 (0.54) GAACYP1A2HTTBRD9ALOX5
SCHEMBL4563247 0.73 HPN (0.49) CYP1A2MEN1KMT2A
SCHEMBL403594 0.73 POLB (0.56) GAACYP1A2HTTALOX5PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090318491-A1 Cytisine and Acetylcholine Analogs and Methods of Treating Mood Disorders YALE UNIVERISTY (US) 2009-12-24 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-20090318491-A1 Cytisine and Acetylcholine Analogs and Methods of Treating Mood Disorders CHRNA1, CHRNA5, CHRNA10 GAA 3032/4885CYP1A2 1000/4885HTT 1610/4885

“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.