SCHEMBL13593302

SCHEMBL13593302

COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(CCCC(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
ALDH1A1 P00352 4/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.50
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HTT P42858 2/20 0.48
SETD7 Q8WTS6 1/20 0.47
MAPT P10636 3/20 0.46
POLB P06746 1/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 2/20 0.46
TRPV1 Q8NER1 1/20 0.46
KCNMA1 Q12791 1/20 0.46
GAA P10253 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NR1H4 Q96RI1 1/20 0.46

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
SCHEMBL2060973 0.89 POLB (0.56) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL13593305 0.80 ALDH1A1 (0.68) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL28527153 0.77 MAPT (0.63) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL1538733 0.77 KMT2A (0.61) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL5658968 0.76 POLB (0.56) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL29151313 0.74 NPC1 (0.62) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL1337560 0.74 KCNK3 (0.72) MEN1KMT2AALDH1A1RAB9AL3MBTL1
SCHEMBL30354805 0.74 KMT2A (0.73) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL1468453 0.73 MAPT (0.49) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL5658112 0.73 MEN1 (0.57) MEN1KMT2AALDH1A1NPC1RAB9A

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-20090324540-A1 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2009-12-31 US disclosed
US-20090324540-A1 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2009-12-31 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-20090324540-A1 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS ABCB4, ABCB7, ALPP MEN1 2174/4885KMT2A 4430/4885ALDH1A1 1939/4885

“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.