SCHEMBL20129847

SCHEMBL20129847

CC(C)OC(=O)Nc1ccc(N(Cc2ccc(F)cc2)C(=O)OCc2ccccc2)cc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
MAPT P10636 4/20 0.45
PKM P14618 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
HPGD P15428 1/20 0.38
ELANE P08246 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KCNQ4 P56696 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
MCOLN3 Q8TDD5 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
RECQL P46063 1/20 0.37

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
SCHEMBL20129857 0.90 MAPT (0.49) ALDH1A1MAPTPKML3MBTL1LMNA
SCHEMBL20129843 0.84 PKM (0.46) ALDH1A1MAPTPKML3MBTL1LMNA
SCHEMBL20129854 0.83 NPC1 (0.46) ALDH1A1MAPTPKML3MBTL1LMNA
SCHEMBL20129846 0.80 MAPT (0.43) ALDH1A1MAPTPKML3MBTL1LMNA
SCHEMBL20129856 0.78 PKM (0.41) ALDH1A1MAPTPKML3MBTL1LMNA
SCHEMBL20129848 0.77 THRB (0.42) ALDH1A1MAPTPKML3MBTL1ELANE
SCHEMBL20129841 0.75 LMNA (0.47) ALDH1A1MAPTPKML3MBTL1LMNA
SCHEMBL20129840 0.74 MAPT (0.47) ALDH1A1MAPTPKML3MBTL1LMNA
SCHEMBL20129871 0.74 PKM (0.42) ALDH1A1MAPTPKML3MBTL1NPSR1
SCHEMBL20129859 0.73 CYP1A2 (0.45) ALDH1A1MAPTPKMLMNARAB9A

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 ALDH1A1 2275/4885MAPT 4337/4885PKM 2790/4885

“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.