SCHEMBL4287348

SCHEMBL4287348

CNC(=O)c1ccc[c]c1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 1/20 0.42
PLK1 P53350 3/20 0.41
PDK2 Q15119 1/20 0.40
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
CFTR P13569 1/20 0.36
BRD4 O60885 1/20 0.36
BRD2 P25440 1/20 0.36
BRD3 Q15059 1/20 0.36
BRDT Q58F21 1/20 0.36
NPC1 O15118 1/20 0.36
CRHBP P24387 1/20 0.36
RAB9A P51151 1/20 0.36
CRHR2 Q13324 1/20 0.36
PTGS1 P23219 1/20 0.35
P2RX1 P51575 1/20 0.34

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
SCHEMBL5597821 0.81 PDK2 (0.37) GAAKDM4EALDH1A1SMN1; SMN2HTT
SCHEMBL4285340 0.80 CFTR (0.47) KDM4EALDH1A1PDK2LMNAPOLB
SCHEMBL5140545 0.77 PARP1 (0.40) GAAKDM4EALDH1A1SMN1; SMN2PDK2
SCHEMBL28820113 0.77 GAA (0.56) GAAALDH1A1PLK1PDK2POLB
SCHEMBL1100763 0.75 GAA (0.48) GAAPLK1POLBBRD4BRD2
SCHEMBL20448911 0.74 GAA (0.47) GAAALDH1A1SMN1; SMN2PLK1POLB
SCHEMBL4287351 0.73 GAA (0.41) GAAALDH1A1SMN1; SMN2HTTPLK1
SCHEMBL1267035 0.72 GAA (0.70) GAASMN1; SMN2PLK1PDK2LMNA
SCHEMBL30745167 0.72 GAA (0.70) GAASMN1; SMN2PLK1PDK2LMNA
SCHEMBL11692963 0.70 GAA (0.47) GAAKDM4EALDH1A1SMN1; SMN2HTT

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-20090137580-A1 Fused Heterocyclic Derivatives and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 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-20090137580-A1 Fused Heterocyclic Derivatives and Use Thereof TIE1, KDR, FLT1 GAA 4716/4885KDM4E 229/4885ALDH1A1 2646/4885

“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.