SCHEMBL3772409

SCHEMBL3772409

CC(C)(C)N(Cc1ccc(C(=O)Nc2nc(-c3ccccc3)ccc2[N+](=O)[O-])cc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
ABCG2 Q9UNQ0 2/20 0.41
TMIGD3 P0DMS9 4/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP3 P42574 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
ADORA3 P0DMS8 3/20 0.39
SNCA P37840 1/20 0.39
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 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
SCHEMBL3772412 1.00 POLB (0.41) POLBMAPTABCG2TMIGD3NPC1
SCHEMBL3775153 0.84 HDAC2 (0.48) TMIGD3ADORA3
SCHEMBL3776737 0.81 ALDH1A1 (0.44) POLBMAPTNPC1ALDH1A1GLA
SCHEMBL3776743 0.81 ALDH1A1 (0.44) POLBMAPTNPC1ALDH1A1GLA
SCHEMBL3644054 0.81 ABCG2 (0.47) MAPTABCG2TMIGD3NPC1HTT
SCHEMBL3644060 0.81 ABCG2 (0.47) MAPTABCG2TMIGD3NPC1HTT
SCHEMBL8074214 0.80 HDAC1 (0.50) POLBMAPTABCG2TMIGD3NPC1
SCHEMBL21905489 0.76 KCNQ3 (0.48) MAPTABCG2TMIGD3NPC1ALDH1A1
SCHEMBL30142637 0.76 KCNQ3 (0.48) MAPTABCG2TMIGD3NPC1ALDH1A1
SCHEMBL21905498 0.74 HDAC2 (0.60) MAPTABCG2TMIGD3NPC1ALDH1A1

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 POLB 1872/4885MAPT 1335/4885ABCG2 3100/4885

“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.