SCHEMBL10062332

SCHEMBL10062332

COc1ccccc1N1CCN(C(=O)c2c3ccccc3nc3ccccc23)CC1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.61
MEN1 O00255 3/20 0.61
POLB P06746 2/20 0.61
ALDH1A1 P00352 3/20 0.60
KDM4E B2RXH2 1/20 0.60
GAA P10253 1/20 0.60
NPSR1 Q6W5P4 2/20 0.59
TSHR P16473 3/20 0.59
HPGDS O60760 1/20 0.58
GLA P06280 1/20 0.57
DRD2 P14416 1/20 0.57
HTR2A P28223 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.56
MAPT P10636 2/20 0.56
TP53 P04637 1/20 0.56
MAPK1 P28482 1/20 0.56
CASP1 P29466 1/20 0.56
HTT P42858 1/20 0.56
LMNA P02545 1/20 0.56

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
SCHEMBL28207457 0.81 RAB9A (0.72) KMT2APOLBALDH1A1KDM4EGAA
SCHEMBL6882152 0.81 ALDH1A1 (0.59) KMT2AALDH1A1KDM4EGAANPSR1
SCHEMBL9653806 0.80 MEN1 (0.85) KMT2AMEN1POLBALDH1A1KDM4E
SCHEMBL18854912 0.79 KMT2A (0.66) KMT2AALDH1A1KDM4EGAANPSR1
SCHEMBL3904994 0.79 KMT2A (0.68) KMT2AMEN1POLBALDH1A1NPSR1
SCHEMBL7793932 0.79 AKR1C3 (0.68) KMT2AMEN1POLBALDH1A1NPSR1
SCHEMBL12835318 0.78 ALDH1A1 (0.77) KMT2AMEN1POLBALDH1A1KDM4E
SCHEMBL14758395 0.78 ALDH1A1 (0.81) KMT2AMEN1POLBALDH1A1KDM4E
SCHEMBL2020525 0.77 ALDH1A1 (0.71) KMT2AMEN1POLBALDH1A1KDM4E
SCHEMBL16026545 0.77 PKM (0.74) KMT2AMEN1POLBALDH1A1NPSR1

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 KMT2A 422/4885MEN1 2682/4885POLB 201/4885
US-20090069301-A1 Acridine and Quinoline Derivatives as Sirtuin Modulators SIRT1, SIRT3, SIRT2 KMT2A 1098/4885MEN1 3703/4885POLB 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.