SCHEMBL5653523

SCHEMBL5653523

NC(=O)CC[C@H](NCCCc1ccccc1)C(=O)OC(=O)c1ccc2ccccc2c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.54
MAPT P10636 1/20 0.54
HTT P42858 1/20 0.54
DRD4 P21917 3/20 0.42
SIGMAR1 Q99720 2/20 0.42
GGT1 P19440 1/20 0.42
METAP2 P50579 1/20 0.41
KMT2A Q03164 2/20 0.40
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
SIRT5 Q9NXA8 1/20 0.39
CTSD P07339 1/20 0.39
HDAC1 Q13547 1/20 0.39
MEN1 O00255 1/20 0.38
GPR52 Q9Y2T5 1/20 0.38

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
SCHEMBL5653113 0.87 SMN1; SMN2 (0.46) KDM4EMAPTHTTGGT1KMT2A
SCHEMBL5651549 0.85 KDM4E (0.44) KDM4EGGT1HDAC1
SCHEMBL2248518 0.77 GGT1 (0.67) SIGMAR1GGT1KMT2AHDAC1
SCHEMBL4363953 0.74 HIF1A (0.45) KDM4EMAPTKMT2AADRB1ADRB3
SCHEMBL2246500 0.73 GGT1 (0.61) MAPTSIGMAR1GGT1KMT2A
SCHEMBL4357430 0.72 KDM4E (0.46) KDM4EMAPTHDAC1
SCHEMBL9397888 0.70 ESR1 (0.65) KDM4EMAPTHTTKMT2AADRB2
SCHEMBL4365892 0.70 KDM4E (0.42) KDM4EKMT2AMEN1
SCHEMBL5655905 0.70 KDM4E (0.42) KDM4EKMT2AHDAC1MEN1
SCHEMBL5653527 0.69 SMN1; SMN2 (0.47) KDM4E

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-20070043066-A1 Glutamate aggrecanase inhibitors WYETH (US) 2007-02-22 US claimed

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-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 KDM4E 1232/4885MAPT 1544/4885HTT 762/4885

“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.