SCHEMBL20129871

SCHEMBL20129871

CCOC(=O)Nc1ccc(N(Cc2nccs2)C(=O)OCc2ccccc2)cc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RAB9A P51151 7/20 0.39
NPC1 O15118 6/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
MAPT P10636 5/20 0.38
MAPK1 P28482 2/20 0.38
POLB P06746 2/20 0.38
KMT2A Q03164 3/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPK10 P53779 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL20129843 0.88 PKM (0.46) PKML3MBTL1RAB9ANPC1SMN1; SMN2
SCHEMBL20129841 0.87 LMNA (0.47) PKML3MBTL1RAB9ANPC1SMN1; SMN2
SCHEMBL20129854 0.85 NPC1 (0.46) PKML3MBTL1RAB9ANPC1SMN1; SMN2
SCHEMBL20129857 0.83 MAPT (0.49) PKML3MBTL1RAB9ANPC1SMN1; SMN2
SCHEMBL20129856 0.83 PKM (0.41) PKML3MBTL1RAB9ANPC1SMN1; SMN2
SCHEMBL20129848 0.82 THRB (0.42) PKML3MBTL1RAB9ANPC1SMN1; SMN2
SCHEMBL14638232 0.76 PKM (0.50) PKML3MBTL1RAB9ANPC1SMN1; SMN2
SCHEMBL17761732 0.74 ALDH1A1 (0.60) PKML3MBTL1RAB9ANPC1SMN1; SMN2
SCHEMBL20129847 0.74 ALDH1A1 (0.45) PKML3MBTL1RAB9ANPC1MAPT
SCHEMBL20129842 0.74 ALDH1A1 (0.49) PKMRAB9ANPC1SMN1; SMN2MAPT

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-20180127357-A1 (2-AMINO-4-(ARYLAMINO)PHENYL) CARBAMATES UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2018-05-10 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-20180127357-A1 (2-AMINO-4-(ARYLAMINO)PHENYL) CARBAMATES HRH4, H1-10, HDAC10 PKM 2790/4885L3MBTL1 1531/4885RAB9A 821/4885

“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.