SCHEMBL7079074

SCHEMBL7079074

Cc1ccnc(C(=O)CC(=O)c2cc(Cc3ccccc3)cc(CN3CC=C4C=C43)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 1/20 0.33
ACKR3 P25106 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
RIPK1 Q13546 1/20 0.33
ALDH1A1 P00352 3/20 0.32
CTSA P10619 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
CHRM4 P08173 1/20 0.32
FAAH O00519 1/20 0.32
CES1 P23141 1/20 0.32
GRM5 P41594 1/20 0.32
PDE10A Q9Y233 1/20 0.32
MAPT P10636 1/20 0.31
NR3C2 P08235 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL7081122 0.81 CYP19A1 (0.39) ACKR3SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL7081648 0.80 L3MBTL1 (0.45) ACKR3KMT2AALDH1A1LMNA
SCHEMBL7077255 0.80 MC4R (0.41) ACKR3ALDH1A1RAB9ACHRM4FAAH
SCHEMBL7077794 0.78 ALDH1A1 (0.44) GPR52SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL30051212 0.78 ALDH1A1 (0.44) GPR52SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL7078623 0.78 KLKB1 (0.38) CTSA
SCHEMBL7077565 0.78 CYP19A1 (0.43) SMN1; SMN2MEN1KMT2AALDH1A1CTSA
SCHEMBL7077538 0.77 SMN1; SMN2 (0.35) ACKR3SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL7540413 0.77 SMN1; SMN2 (0.35) ACKR3SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL7077342 0.77 HDAC1 (0.45) MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030229079-A1 1-(Aromatic- or heteroaromatic-substituted)-3-(heteroaromatic substituted)-1,3-propanediones and uses thereof PAYNE LINDA S (US) 2003-12-11 US claimed
US-20030229079-A1 1-(Aromatic- or heteroaromatic-substituted)-3-(heteroaromatic substituted)-1,3-propanediones and uses thereof PAYNE LINDA S (US) 2003-12-11 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-20030229079-A1 1-(Aromatic- or heteroaromatic-substituted)-3-(heteroaromatic substituted)-1,3-propanediones and uses thereof CYP2S1, IMPDH1, IDO1 GPR52 4424/4885ACKR3 3612/4885SMN1; SMN2 4337/4885

“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.