SCHEMBL10273891

SCHEMBL10273891

CCCc1ccccc1N(C)C(=O)CCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
MLYCD O95822 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.46
HTT P42858 2/20 0.46
MEN1 O00255 2/20 0.46
HPGD P15428 2/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 1/20 0.45
ALOX5 P09917 2/20 0.44
KDM4E B2RXH2 1/20 0.44
KEAP1 Q14145 1/20 0.43
GAA P10253 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL616621 0.81 KMT2A (0.58) KMT2AMLYCDL3MBTL1HTTMEN1
SCHEMBL616296 0.81 KMT2A (0.58) KMT2AMLYCDL3MBTL1HTTMEN1
SCHEMBL615872 0.79 KMT2A (0.55) KMT2AMLYCDL3MBTL1HTTMEN1
SCHEMBL616400 0.79 KMT2A (0.55) KMT2AMLYCDL3MBTL1HTTMEN1
SCHEMBL20442406 0.78 TSPO (0.46) L3MBTL1HTTHPGDLMNATSHR
SCHEMBL618738 0.77 KMT2A (0.53) KMT2AMLYCDL3MBTL1HTTMEN1
SCHEMBL11722623 0.76 PPARG (0.37) L3MBTL1HTTHPGDLMNATSHR
SCHEMBL4064688 0.76 MLYCD (0.67) KMT2AMLYCDL3MBTL1HTTMEN1
SCHEMBL3366949 0.73 KMT2A (0.70) KMT2AMLYCDL3MBTL1HTTMEN1
SCHEMBL8188967 0.73 KMT2A (0.70) KMT2AL3MBTL1HTTMEN1ALDH1A1

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-20120088758-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-04-12 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-20120088758-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 KMT2A 2123/4885MLYCD 4583/4885L3MBTL1 2920/4885

“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.