SCHEMBL10061655

SCHEMBL10061655

O=C(NNc1cc(-c2ccccc2)nc2ccccc12)c1ccc(Cl)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.63
KMT2A Q03164 4/20 0.63
GAA P10253 3/20 0.63
MMP14 P50281 1/20 0.63
ADORA3 P0DMS8 1/20 0.56
LMNA P02545 2/20 0.54
PTGS2 P35354 2/20 0.51
HTT P42858 3/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
GFER P55789 1/20 0.49
POLB P06746 2/20 0.49
MAPT P10636 2/20 0.49
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
ALOX12 P18054 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
SCHEMBL10061502 0.85 CYP3A4 (0.59) MEN1KMT2AGAALMNAHTT
SCHEMBL13253393 0.81 MAPT (0.58) MEN1KMT2AGAALMNAHTT
SCHEMBL10061980 0.81 KDM5A (0.63) MEN1KMT2ALMNAHTTCYP2C9
SCHEMBL10062375 0.78 BCHE (0.58) MEN1KMT2ALMNAPOLBMAPT
SCHEMBL3338748 0.72 MAPT (0.82) MEN1KMT2AGAALMNAHTT
SCHEMBL31060654 0.72 ADORA3 (1.00) ADORA3POLBMAPTTDP1CTRC
SCHEMBL2747682 0.72 ABCB1 (0.60) MEN1KMT2ALMNAGFERSMN1; SMN2
SCHEMBL29788462 0.71 DHODH (0.80) KMT2ALMNACYP2C9POLBMAPT
SCHEMBL2291034 0.71 DHODH (0.80) KMT2ALMNACYP2C9POLBMAPT
SCHEMBL419079 0.71 MEN1 (0.74) MEN1KMT2AGAALMNAHTT

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 MEN1 2682/4885KMT2A 422/4885GAA 119/4885
US-20090069301-A1 Acridine and Quinoline Derivatives as Sirtuin Modulators SIRT1, SIRT3, SIRT2 MEN1 3703/4885KMT2A 1098/4885GAA 220/4885

“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.