SCHEMBL3363523

SCHEMBL3363523

CCN(CC)c1ccc2c(C)c(N3C(=O)C=CC3=O)c(=O)oc2c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.69
ALDH1A1 P00352 11/20 0.63
KDM4E B2RXH2 9/20 0.63
HTT P42858 6/20 0.63
TDP1 Q9NUW8 4/20 0.63
GLA P06280 6/20 0.60
ATM Q13315 6/20 0.60
GAA P10253 2/20 0.60
KLK7 P49862 1/20 0.60
MAPT P10636 7/20 0.56
L3MBTL1 Q9Y468 5/20 0.56
HPGD P15428 5/20 0.56
HIF1A Q16665 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
MEN1 O00255 7/20 0.55
KMT2A Q03164 7/20 0.55
CASP1 P29466 6/20 0.55
CASP7 P55210 6/20 0.55
HSD17B10 Q99714 6/20 0.55
LMNA P02545 2/20 0.54

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
SCHEMBL29527262 0.86 CCR4 (0.64) EP300ALDH1A1KDM4EHTTTDP1
SCHEMBL179796 0.86 CCR4 (0.64) EP300ALDH1A1KDM4EHTTTDP1
SCHEMBL11296750 0.82 ALDH1A1 (0.78) EP300ALDH1A1KDM4EHTTTDP1
SCHEMBL29412863 0.82 EP300 (1.00) EP300ALDH1A1KDM4EHTTTDP1
SCHEMBL6627 0.82 EP300 (1.00) EP300ALDH1A1KDM4EHTTTDP1
SCHEMBL14160791 0.81 CCR4 (0.61) EP300ALDH1A1KDM4EHTTTDP1
SCHEMBL14198859 0.79 EP300 (0.79) EP300ALDH1A1KDM4EHTTTDP1
SCHEMBL12651890 0.79 ALDH1A1 (0.72) EP300ALDH1A1KDM4EHTTTDP1
SCHEMBL29152148 0.78 ALDH1A1 (0.76) EP300ALDH1A1KDM4EHTTTDP1
SCHEMBL4534137 0.78 EP300 (0.43) EP300ALDH1A1KDM4EHTTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-01-14 US disclosed
US-20080161324-A1 Compositions and methods for treatment of viral diseases EXCRX (SINGAPORE) PTE. LTD. (F.K.A. COMBINATORX (SINGAPORE) PTE LTD.) (SG) 2008-07-03 US disclosed
WO-2008033466-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PRE. LTD. (SG) 2008-03-20 WO 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-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES HTR1A, HTR3B, HTR3A EP300 2518/4885ALDH1A1 2240/4885KDM4E 192/4885
US-20080161324-A1 Compositions and methods for treatment of viral diseases HAVCR2, EIF2AK2, RNASE1 EP300 2324/4885ALDH1A1 785/4885KDM4E 861/4885

“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.