SCHEMBL8078115

SCHEMBL8078115

COC(=O)NCc1ccc(C(=O)Nc2nc(Cl)ccc2[N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
HTT P42858 1/20 0.47
TSHR P16473 1/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC3 O15379 1/20 0.42
HPGD P15428 4/20 0.42
ALDH1A1 P00352 5/20 0.41
CYP3A4 P08684 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
CYP2C9 P11712 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL8074960 0.90 NAMPT (0.52) MAPTHTTHDAC1HPGDCYP3A4
SCHEMBL3643236 0.89 MAPT (0.53) MAPTHTTHPGDALDH1A1CYP3A4
SCHEMBL3643232 0.89 MAPT (0.53) MAPTHTTHPGDALDH1A1CYP3A4
SCHEMBL8074214 0.85 HDAC1 (0.50) MAPTHTTHDAC1HDAC2HDAC3
SCHEMBL27782675 0.83 MERTK (0.56) MAPTHTTHPGDALDH1A1CYP3A4
SCHEMBL3768459 0.80 MAPT (0.51) MAPTHTTHDAC1HDAC3HPGD
SCHEMBL3768460 0.80 MAPT (0.51) MAPTHTTHDAC1HDAC3HPGD
SCHEMBL27782705 0.80 NPC1 (0.54) MAPTHTTHPGDALDH1A1CYP1A2
SCHEMBL31515714 0.80 MAPT (0.59) MAPTHTTMEN1KMT2ACYP2C9
SCHEMBL2177544 0.74 BRD4 (0.48) MAPTHTTNPSR1L3MBTL1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2170339-B1 PYRIDYL AND PYRIMIDINYL DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS MERCK SHARP & DOHME (US) 2014-10-15 EP disclosed
US-8461189-B2 Pyridyl derivatives as histone deacetylase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-06-11 US disclosed
US-8461189-B2 Pyridyl derivatives as histone deacetylase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-06-11 US disclosed
US-20100324092-A1 PYRIDYL AND PYRIMIDINYL DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS MERCK SHARP & DOHME CORP. 2010-12-23 US disclosed
WO-2009005638-A2 PYRIDYL AND PYRIMIDINYL DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS MERCK & CO., INC. (US) 2009-01-08 WO 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-20100324092-A1 PYRIDYL AND PYRIMIDINYL DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS BRDT, HDAC5, HDAC1 MAPT 1335/4885HTT 261/4885TSHR 1248/4885

“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.