SCHEMBL3768459

SCHEMBL3768459

CN(Cc1ccc(C(=O)Nc2nc(Cl)ccc2[N+](=O)[O-])cc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
HTT P42858 2/20 0.50
THRB P10828 1/20 0.39
GSR P00390 1/20 0.39
TXNRD1 Q16881 1/20 0.39
PLK1 P53350 1/20 0.39
PLK3 Q9H4B4 1/20 0.39
HDAC6 Q9UBN7 2/20 0.39
PHGDH O43175 1/20 0.39
HDAC1 Q13547 1/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 1/20 0.38
TMEM97 Q5BJF2 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
MAPK1 P28482 1/20 0.38
LMNA P02545 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
SCHEMBL3768460 1.00 MAPT (0.51) MAPTHTTTHRBGSRTXNRD1
SCHEMBL3643236 0.82 MAPT (0.53) MAPTHTTGSRTXNRD1PHGDH
SCHEMBL3643232 0.82 MAPT (0.53) MAPTHTTGSRTXNRD1PHGDH
SCHEMBL8078115 0.80 MAPT (0.48) MAPTHTTHDAC1ALDH1A1SMN1; SMN2
SCHEMBL27782675 0.78 MERTK (0.56) MAPTHTTTHRBALDH1A1SMN1; SMN2
SCHEMBL27782705 0.78 NPC1 (0.54) MAPTHTTPLK1ALDH1A1SMN1; SMN2
SCHEMBL8074960 0.77 NAMPT (0.52) MAPTHTTHDAC6HDAC1SMN1; SMN2
SCHEMBL5099519 0.73 MAPT (0.61) MAPTHTTGSRTXNRD1MEN1
SCHEMBL31515714 0.72 MAPT (0.59) MAPTHTTGSRTXNRD1SMN1; SMN2
SCHEMBL3772409 0.72 POLB (0.41) MAPTHTTALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 261/4885THRB 1798/4885

“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.