SCHEMBL5652505

SCHEMBL5652505

NC(=O)[C@H](CCC(=O)O)N(Cc1ccccc1)C(=O)c1ccc(Br)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
TRPM8 Q7Z2W7 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
EPOR P19235 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HSP90AA1 P07900 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
FOLH1 Q04609 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
SCHEMBL27826145 0.91 TRPM8 (0.46) KMT2AMEN1TRPM8L3MBTL1HDAC3
SCHEMBL2244869 0.88 KMT2A (0.41) KMT2AMEN1TRPM8SMN1; SMN2ALDH1A1
SCHEMBL4371351 0.85 KMT2A (0.40) KMT2AMEN1TRPM8SMN1; SMN2MAPK1
SCHEMBL2246642 0.82 MMP12 (0.41) SMN1; SMN2HDAC3HDAC1ALDH1A1LMNA
SCHEMBL2247756 0.82 TP53 (0.41) KMT2AMEN1LMNA
SCHEMBL4369489 0.81 PTGES (0.45) KMT2AMEN1SMN1; SMN2HDAC1HDAC6
SCHEMBL5652973 0.81 PPARD (0.49) L3MBTL1ALDH1A1
SCHEMBL4367868 0.81 TSHR (0.43) KMT2AMEN1TRPM8L3MBTL1
SCHEMBL5650478 0.81 TRPM8 (0.50) KMT2AMEN1TRPM8PPARG
SCHEMBL4623203 0.81 NPC1 (0.43) KMT2AMEN1TRPM8SMN1; SMN2L3MBTL1

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 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-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 KMT2A 2364/4885MEN1 2734/4885TRPM8 1187/4885

“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.