SCHEMBL10062375

SCHEMBL10062375

COc1cc(C(=O)NNc2cc(-c3ccccc3)nc3ccccc23)cc(OC)c1OC

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.58
ACHE P22303 3/20 0.58
POLB P06746 2/20 0.54
MAPT P10636 2/20 0.54
SMN1; SMN2 Q16637 3/20 0.52
HSD17B10 Q99714 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
ATM Q13315 1/20 0.52
HPGD P15428 3/20 0.51
LMNA P02545 2/20 0.51
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 3/20 0.50
USP2 O75604 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
RXFP1 Q9HBX9 2/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL13253393 0.89 MAPT (0.58) POLBMAPTSMN1; SMN2L3MBTL1HPGD
SCHEMBL10061973 0.87 NQO2 (0.62) BCHEACHEPOLBMAPTSMN1; SMN2
SCHEMBL10061970 0.82 ACHE (0.74) BCHEACHEPOLBMAPTSMN1; SMN2
SCHEMBL10061655 0.78 MEN1 (0.63) POLBMAPTSMN1; SMN2L3MBTL1LMNA
SCHEMBL13253522 0.78 BCHE (0.60) BCHEACHEPOLBMAPTSMN1; SMN2
SCHEMBL10061502 0.78 CYP3A4 (0.59) POLBMAPTSMN1; SMN2L3MBTL1LMNA
SCHEMBL3338128 0.77 KDM4E (0.68) POLBMAPTSMN1; SMN2HSD17B10HPGD
SCHEMBL10061503 0.76 MAPT (0.77) POLBMAPTATMHPGDLMNA
SCHEMBL9926442 0.74 BCHE (1.00) BCHEACHEMAPT
SCHEMBL10061980 0.74 KDM5A (0.63) POLBMAPTSMN1; SMN2L3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1853920-B1 FLUORESCENCE POLARIZATION ASSAYS FOR ACETYLTRANSFERASE/DEACETYLASE ACTIVITY SIRTRIS PHARMACEUTICALS INC (US) 2012-02-01 EP disclosed
US-20100168084-A1 Therapeutic compounds and related methods of use ELIXIR PHARMACEUTICALS, INC. 2010-07-01 US disclosed
US-20100168084-A1 Therapeutic compounds and related methods of use ELIXIR PHARMACEUTICALS, INC. 2010-07-01 US disclosed
US-20090069301-A1 Acridine and Quinoline Derivatives as Sirtuin Modulators SIRTRIS PHARMACEUTICALS, INC. (US) 2009-03-12 US disclosed
US-20090069301-A1 Acridine and Quinoline Derivatives as Sirtuin Modulators SIRTRIS PHARMACEUTICALS, INC. (US) 2009-03-12 US disclosed
US-20080293081-A1 Fluorescence Polarization Assays for Acetyltransferase/Deacetylase Activity SIRTRIS PHARMACEUTICALS, INC. (US) 2008-11-27 US disclosed
US-20080293081-A1 Fluorescence Polarization Assays for Acetyltransferase/Deacetylase Activity SIRTRIS PHARMACEUTICALS, INC. (US) 2008-11-27 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 (2 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-20100168084-A1 Therapeutic compounds and related methods of use EP300, KAT2A, KAT6B BCHE 742/4885ACHE 1167/4885POLB 201/4885
US-20090069301-A1 Acridine and Quinoline Derivatives as Sirtuin Modulators SIRT1, SIRT3, SIRT2 BCHE 3399/4885ACHE 331/4885POLB 1158/4885

“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.