SCHEMBL3775280

SCHEMBL3775280

NC(=O)c1ccc(CN(Cc2cccnc2)C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.56
KMT2A Q03164 2/20 0.52
MKNK1 Q9BUB5 2/20 0.51
MKNK2 Q9HBH9 2/20 0.51
F7 P08709 1/20 0.50
F3 P13726 1/20 0.50
SARM1 Q6SZW1 1/20 0.50
SIRT2 Q8IXJ6 1/20 0.50
SIRT6 Q8N6T7 1/20 0.50
SIRT1 Q96EB6 1/20 0.50
SIRT3 Q9NTG7 1/20 0.50
SIRT5 Q9NXA8 1/20 0.50
SIRT4 Q9Y6E7 1/20 0.50
ALKBH5 Q6P6C2 1/20 0.49
PLA2G10 O15496 1/20 0.49
PLA2G2A P14555 1/20 0.49
ALDH1A1 P00352 3/20 0.48
NAPRT Q6XQN6 1/20 0.47
GAA P10253 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL28596953 0.85 HDAC1 (0.56) HDAC1KMT2AALKBH5ALDH1A1NAPRT
SCHEMBL1567095 0.84 KMT2A (0.51) HDAC1KMT2AMKNK1MKNK2ALDH1A1
SCHEMBL29224860 0.83 HDAC1 (0.54) HDAC1KMT2AALKBH5ALDH1A1GAA
SCHEMBL25378385 0.79 KMT2A (0.58) HDAC1KMT2AALDH1A1NAPRTGAA
SCHEMBL30482084 0.79 KMT2A (0.58) HDAC1KMT2AALDH1A1NAPRTGAA
SCHEMBL31720922 0.78 HDAC1 (0.78) HDAC1F3
SCHEMBL1071012 0.78 HDAC1 (0.78) HDAC1F3
SCHEMBL8716866 0.78 KMT2A (0.56) KMT2AALDH1A1NAPRTGAATSHR
SCHEMBL6131014 0.77 HDAC1 (0.54) HDAC1KMT2AALDH1A1GAAGRM2
Carbamic Acid SCHEMBL6466030 0.76 LMNA (0.57) HDAC1KMT2AALDH1A1TSHRMEN1

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 3 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-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 HDAC1 3/4885KMT2A 111/4885MKNK1 899/4885

“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.