SCHEMBL2977779

SCHEMBL2977779

COC(=O)c1cnc(N2CCc3[nH]c4ccc(C)cc4c3C2)nc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 2/20 0.55
LMNA P02545 1/20 0.54
PABPC1 P11940 1/20 0.54
ATM Q13315 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.51
HDAC1 Q13547 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 5/20 0.48
POLB P06746 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALOX15 P16050 1/20 0.48
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ACHE P22303 4/20 0.47
GRIN1 Q05586 3/20 0.47
GRIN2A Q12879 3/20 0.47
GRIN2D O15399 2/20 0.47
GRIN3B O60391 2/20 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
SCHEMBL2970402 0.92 BAZ2B (0.47) BAZ2BLMNAPABPC1ATMSMN1; SMN2
SCHEMBL2970696 0.89 BAZ2B (0.56) BAZ2BLMNAPABPC1ATMSMN1; SMN2
SCHEMBL2980788 0.89 BAZ2B (0.56) BAZ2BLMNAPABPC1ATMSMN1; SMN2
SCHEMBL2965905 0.88 HDAC1 (0.65) BAZ2BLMNAPABPC1ATMSMN1; SMN2
SCHEMBL2975501 0.85 BAZ2B (0.59) BAZ2BLMNAPABPC1ATMSMN1; SMN2
SCHEMBL2981581 0.84 POLB (0.41) BAZ2BLMNAPABPC1ATMSMN1; SMN2
SCHEMBL2966425 0.84 POLB (0.43) BAZ2BLMNAPABPC1ATMSMN1; SMN2
SCHEMBL2986268 0.83 BAZ2B (0.46) BAZ2BLMNAPABPC1ATMSMN1; SMN2
SCHEMBL2978815 0.83 BAZ2B (0.46) BAZ2BLMNAALDH1A1POLBKDM4E
SCHEMBL2973481 0.82 SIRT2 (0.44) BAZ2BLMNAPABPC1ATMSMN1; SMN2

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-7772245-B2 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
US-20060199829-A1 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS, INC. 2006-09-07 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-20060199829-A1 Inhibitors of histone deacetylase HDAC1, HDAC2, HDAC11 BAZ2B 33/4885LMNA 1126/4885PABPC1 2514/4885

“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.