SCHEMBL3770744

SCHEMBL3770744

CC(C)(C)N(C(=O)O)c1ccc(Cl)nc1Cl

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CCR9 P51686 1/20 0.32
NAPRT Q6XQN6 1/20 0.30

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
SCHEMBL1352024 0.85 LMNA (0.32) LMNAKMT2AALDH1A1MAPK1SMN1; SMN2
SCHEMBL23878604 0.84 LMNA (0.31) LMNAKMT2ACCR9
SCHEMBL1350418 0.81 LMNA (0.30) LMNAKMT2A
SCHEMBL1351517 0.81 CCR9 (0.32) LMNAKMT2AALDH1A1CCR9
SCHEMBL3641520 0.77 NAPRT (0.34) ALDH1A1MAPK1SMN1; SMN2NAPRT
SCHEMBL238763 0.75 SMN1; SMN2 (0.46) LMNAKMT2AALDH1A1SMN1; SMN2NAPRT
SCHEMBL23878391 0.75 L3MBTL1 (0.35) LMNAKMT2A
SCHEMBL4440614 0.74 TUBB4A (0.35) LMNAKMT2AALDH1A1SMN1; SMN2CCR9
SCHEMBL550049 0.73 CYP3A4 (0.39) LMNAKMT2AALDH1A1SMN1; SMN2
SCHEMBL1119415 0.73 ALDH1A1 (0.32) LMNAKMT2AALDH1A1

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 LMNA 2854/4885KMT2A 111/4885ALDH1A1 966/4885

“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.