SCHEMBL4096169

SCHEMBL4096169

CCCCOC(=O)NC(CC(=O)OC)c1ccc(Br)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
FAAH O00519 6/20 0.46
SMN1; SMN2 Q16637 6/20 0.46
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
HPGD P15428 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPK1 P28482 2/20 0.45
CASP1 P29466 1/20 0.40
MGLL Q99685 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
MCL1 Q07820 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
SCHEMBL1721285 0.89 FAAH (0.47) POLBMEN1KMT2AFAAHSMN1; SMN2
SCHEMBL4097623 0.89 SMN1; SMN2 (0.48) FAAHSMN1; SMN2NPC1RAB9AHPGD
SCHEMBL4385673 0.87 SMN1; SMN2 (0.51) POLBMEN1KMT2AFAAHSMN1; SMN2
SCHEMBL3996623 0.84 FAAH (0.55) POLBMEN1KMT2AFAAHSMN1; SMN2
SCHEMBL3821977 0.83 MAPT (0.49) MEN1KMT2AFAAHSMN1; SMN2NPC1
SCHEMBL6831614 0.82 NPC1 (0.47) MEN1KMT2AFAAHSMN1; SMN2NPC1
SCHEMBL539214 0.82 HTT (0.46) FAAHSMN1; SMN2NPC1RAB9AHPGD
SCHEMBL6190128 0.81 FAAH (0.48) MEN1KMT2AFAAHSMN1; SMN2NPC1
SCHEMBL1721708 0.81 FAAH (0.43) POLBMEN1KMT2AFAAHSMN1; SMN2
SCHEMBL15542046 0.80 SMN1; SMN2 (0.55) POLBSMN1; SMN2NPC1RAB9AHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8076285-B2 Lysobactin amides AICURIS GMBH & CO. KG (DE) 2011-12-13 US disclosed
US-20090203582-A1 LYSOBACTIN AMIDES BAYER HEALTHCARE AG (DE) 2009-08-13 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-20090203582-A1 LYSOBACTIN AMIDES AADAT, HAMP, DLST POLB 2867/4885MEN1 2317/4885KMT2A 448/4885

“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.