SCHEMBL20129856

SCHEMBL20129856

CCOC(=O)Nc1ccc(N(Cc2cccc(S(F)(F)(F)(F)F)c2)C(=O)OCc2ccccc2)cc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RAB9A P51151 6/20 0.39
NPC1 O15118 5/20 0.39
KMT2A Q03164 3/20 0.38
MAPT P10636 7/20 0.37
POLB P06746 2/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
MAPK1 P28482 2/20 0.37
KCNQ4 P56696 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
ALDH1A1 P00352 4/20 0.36
ELANE P08246 1/20 0.35
KCNQ2 O43526 1/20 0.35
LMNA P02545 1/20 0.35

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 0.91 PKM (0.46) PKML3MBTL1RAB9ANPC1KMT2A
SCHEMBL20129848 0.88 THRB (0.42) PKML3MBTL1RAB9ANPC1KMT2A
SCHEMBL20129857 0.87 MAPT (0.49) PKML3MBTL1RAB9ANPC1KMT2A
SCHEMBL20129854 0.87 NPC1 (0.46) PKML3MBTL1RAB9ANPC1KMT2A
SCHEMBL20129841 0.84 LMNA (0.47) PKML3MBTL1RAB9ANPC1KMT2A
SCHEMBL20129871 0.83 PKM (0.42) PKML3MBTL1RAB9ANPC1KMT2A
SCHEMBL20129852 0.83 MAPT (0.41) PKML3MBTL1RAB9ANPC1KMT2A
SCHEMBL14638232 0.78 PKM (0.50) PKML3MBTL1RAB9ANPC1KMT2A
SCHEMBL20129847 0.78 ALDH1A1 (0.45) PKML3MBTL1RAB9ANPC1KMT2A
SCHEMBL20133977 0.77 KCNQ3 (0.48) PKML3MBTL1RAB9ANPC1KMT2A

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.