SCHEMBL4891517

SCHEMBL4891517

CCCOc1cccc(CC(C([NH])=O)C(OC(C)(C)C)N2C(=O)c3ccccc3C2=O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.39
TNF P01375 1/20 0.38
KMT2A Q03164 3/20 0.37
POLB P06746 1/20 0.37
FAAH O00519 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
MAPK1 P28482 2/20 0.37
TSHR P16473 1/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
ROCK2 O75116 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
ROCK1 Q13464 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GGPS1 O95749 1/20 0.35

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
SCHEMBL4894651 0.88 L3MBTL1 (0.43) L3MBTL1TNFKMT2APOLBALDH1A1
SCHEMBL4901983 0.81 KMT2A (0.43) L3MBTL1KMT2AFAAHTDP1MAPK1
SCHEMBL4895841 0.67 TAAR1 (0.47) KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL4891509 0.67 L3MBTL1 (0.40) L3MBTL1KMT2AFAAHTDP1MAPK1
SCHEMBL4782267 0.65 ALDH1A1 (0.47) L3MBTL1KMT2APOLBTDP1ALDH1A1
SCHEMBL4729936 0.64 GGPS1 (0.46) L3MBTL1KMT2AFAAHTDP1MAPK1
SCHEMBL12960399 0.64 KMT2A (0.49) L3MBTL1KMT2ATDP1MAPK1TSHR
SCHEMBL4569116 0.64 RAB9A (0.74) L3MBTL1KMT2ATDP1MAPK1TSHR
SCHEMBL4842190 0.64 RAB9A (0.52) L3MBTL1KMT2APOLBTDP1TSHR
SCHEMBL4733184 0.63 CTSK (0.48) KMT2A

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-20080242694-A1 Amino-substituted heterocycles, compositions thereof, and methods of treatment therewith D SIDOCKY NEIL R 2008-10-02 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-20080242694-A1 Amino-substituted heterocycles, compositions thereof, and methods of treatment therewith JAK2, CHEK2, MTOR L3MBTL1 1483/4885TNF 488/4885KMT2A 758/4885

“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.