SCHEMBL155369

SCHEMBL155369

CCOC(=O)C(CC)(CCC#N)C(=O)Oc1ccc(F)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 5/20 0.36
CYP1A2 P05177 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
LMNA P02545 1/20 0.36
FBP1 P09467 1/20 0.35
TSHR P16473 3/20 0.34
ABCB11 O95342 1/20 0.34
CYP3A4 P08684 1/20 0.34
HTR2A P28223 1/20 0.34
PMP22 Q01453 1/20 0.34
PPARA Q07869 1/20 0.34
HPGD P15428 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GLA P06280 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
SCHEMBL22047375 0.82 MEN1 (0.64) MEN1KMT2AL3MBTL1ALDH1A1CYP1A2
SCHEMBL156656 0.76 MAOB (0.38) ALDH1A1SMN1; SMN2NPSR1LMNATSHR
SCHEMBL155368 0.75 MEN1 (0.49) MEN1KMT2AALDH1A1CYP1A2NPSR1
SCHEMBL1341844 0.72 MEN1 (1.00) MEN1KMT2AL3MBTL1ALDH1A1CYP1A2
SCHEMBL21850141 0.72 KMT2A (0.44) MEN1KMT2AALDH1A1CYP1A2SMN1; SMN2
SCHEMBL17552760 0.70 RIPK1 (0.48) L3MBTL1ALDH1A1TSHRHPGDGAA
SCHEMBL18272440 0.70 KMT2A (0.50) MEN1KMT2AL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL25555697 0.70 MEN1 (0.86) MEN1KMT2AL3MBTL1ALDH1A1CYP1A2
SCHEMBL8979177 0.68 MEN1 (0.83) MEN1KMT2AL3MBTL1ALDH1A1CYP1A2
SCHEMBL1343741 0.68 MEN1 (0.89) MEN1KMT2AL3MBTL1ALDH1A1CYP1A2

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-20120059030-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-08 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-20120059030-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BACE1, BACE2, APP MEN1 725/4885KMT2A 3067/4885L3MBTL1 4417/4885

“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.