SCHEMBL20129848

SCHEMBL20129848

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.42
CYP19A1 P11511 2/20 0.42
HDAC6 Q9UBN7 2/20 0.40
PKM P14618 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 2/20 0.40
MAPT P10636 2/20 0.40
KCNMA1 Q12791 1/20 0.39
KMT2A Q03164 2/20 0.39
MGLL Q99685 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SERPINE1 P05121 1/20 0.39
PDK1 Q15118 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ELANE P08246 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 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
SCHEMBL20129843 0.90 PKM (0.46) CYP19A1PKML3MBTL1POLBMAPT
SCHEMBL20129856 0.88 PKM (0.41) PKML3MBTL1POLBMAPTKMT2A
SCHEMBL20129857 0.87 MAPT (0.49) PKML3MBTL1POLBMAPTKMT2A
SCHEMBL20129854 0.87 NPC1 (0.46) PKML3MBTL1POLBMAPTKCNMA1
SCHEMBL20129841 0.84 LMNA (0.47) PKML3MBTL1POLBMAPTKMT2A
SCHEMBL20129855 0.83 CYP19A1 (0.47) CYP19A1HDAC6MAPTKMT2ASERPINE1
SCHEMBL20129871 0.82 PKM (0.42) CYP19A1PKML3MBTL1POLBMAPT
SCHEMBL14638232 0.78 PKM (0.50) PKML3MBTL1POLBMAPTKCNMA1
SCHEMBL20129847 0.77 ALDH1A1 (0.45) PKML3MBTL1MAPTKMT2ANPC1
SCHEMBL20133927 0.77 THRB (0.53) THRBKCNMA1KMT2ASERPINE1SMN1; SMN2

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 THRB 298/4885CYP19A1 2865/4885HDAC6 101/4885

“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.