SCHEMBL20151843

SCHEMBL20151843

Cc1ccc(C=O)c(N(CCCC(=O)O)Cc2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.42
SRC P12931 1/20 0.40
KDM4E B2RXH2 3/20 0.39
MAPK1 P28482 3/20 0.39
MAPT P10636 2/20 0.39
ATM Q13315 2/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.38
HDAC3 O15379 1/20 0.37
ADRA1A P35348 1/20 0.37
HDAC4 P56524 1/20 0.37
SLC6A3 Q01959 1/20 0.37
HDAC1 Q13547 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37

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
SCHEMBL20151842 0.86 PPARD (0.36) PPARDKDM4EMAPK1MAPTATM
SCHEMBL20137089 0.83 FFAR4 (0.39) PPARDKDM4EMAPTALDH1A1KMT2A
SCHEMBL29561187 0.83 FFAR4 (0.39) PPARDKDM4EMAPTALDH1A1KMT2A
SCHEMBL20151846 0.83 PPARD (0.38) PPARDKDM4EMAPK1MAPTATM
Hydrochloric Acid SCHEMBL29560707 0.82 FFAR4 (0.39) PPARDKDM4EMAPTALDH1A1KMT2A
Hydrochloric Acid SCHEMBL20137048 0.82 FFAR4 (0.39) PPARDKDM4EMAPTALDH1A1KMT2A
SCHEMBL20151848 0.82 KMT2A (0.36) PPARDSRCKDM4EMAPK1MAPT
Trifluoroacetic Acid SCHEMBL29561105 0.81 PPARG (0.39) PPARDKDM4EMAPTALDH1A1KMT2A
SCHEMBL20151844 0.80 ALOX5 (0.37) PPARDKDM4EMAPK1MAPTATM
SCHEMBL20151838 0.76 PPARG (0.39) KDM4EMAPK1MAPTTSHRALDH1A1

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-20180134674-A1 MAGL INHIBITORS H. LUNDBECK A/S (DK) 2018-05-17 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-20180134674-A1 MAGL INHIBITORS MAG, MAGI3, MGLL PPARD 2641/4885SRC 3069/4885KDM4E 984/4885

“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.