SCHEMBL2901912

SCHEMBL2901912

COC(=O)c1ccc(N(Cc2cncs2)c2cccc(C(=O)OC(C)(C)C)c2)cc1OC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.35
CTSL P07711 1/20 0.34
BUB1 O43683 1/20 0.34
ALDH1A1 P00352 6/20 0.33
MAPT P10636 4/20 0.33
HPGD P15428 3/20 0.33
GAA P10253 2/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPK14 Q16539 1/20 0.33
ABCB1 P08183 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
HSD17B10 Q99714 3/20 0.32
KMT2A Q03164 2/20 0.32
TSHR P16473 2/20 0.32
DNMT1 P26358 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
SLC7A5 Q01650 1/20 0.32
HTR1A P08908 1/20 0.32

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
SCHEMBL2908816 0.92 MKNK1 (0.38) KDM4ECTSLBUB1ALDH1A1MAPT
SCHEMBL2901840 0.92 ALDH1A1 (0.35) KDM4EBUB1ALDH1A1MAPTHPGD
SCHEMBL3126048 0.87 SREBF1 (0.41) KDM4EBUB1ALDH1A1MAPTHPGD
SCHEMBL2907453 0.87 TMPRSS15 (0.34) KDM4ECTSLBUB1ALDH1A1MAPT
SCHEMBL3203001 0.85 POLB (0.35) KDM4ECTSLBUB1ALDH1A1MAPT
SCHEMBL3123577 0.85 CTSL (0.35) KDM4ECTSLBUB1ALDH1A1MAPT
SCHEMBL2908090 0.85 PDK1 (0.42) KDM4EALDH1A1GAAHTTKMT2A
SCHEMBL2908195 0.85 HDAC6 (0.34) CTSLBUB1ALDH1A1MAPTHPGD
SCHEMBL2905045 0.84 MKNK1 (0.38) KDM4EBUB1ALDH1A1HPGDKMT2A
SCHEMBL3219592 0.84 NR1H2 (0.40) KDM4EMAPTMAPK14SLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1578423-B1 2-AMINOCARBONYL-QUINOLINE COMPOUNDS AS PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS BAYER SCHERING PHARMA AG (DE) 2010-08-18 EP claimed
US-9150527-B2 Metalloenzyme inhibitor compounds INNOCRIN PHARMACEUTICALS, INC. (US) 2015-10-06 US disclosed
US-9150527-B2 Metalloenzyme inhibitor compounds INNOCRIN PHARMACEUTICALS, INC. (US) 2015-10-06 US disclosed
US-20140303157-A1 METALLOENZYME INHIBITOR COMPOUNDS INNOCRIN PHARMACEUTICALS, INC. 2014-10-09 US disclosed
EP-1692109-B1 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED DIARYLAMINE ANALOGS MEMORY PHARM CORP (US) 2010-08-18 EP disclosed
US-20050222207-A1 Phosphodiesterase 4 inhibitors, including N-substituted diarylamine analogs MEMORY PHARMACEUTICAL CORPORATION 2005-10-06 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-20050222207-A1 Phosphodiesterase 4 inhibitors, including N-substituted diarylamine analogs PDE4A, PDE4B, PDE3B KDM4E 252/4885CTSL 2383/4885BUB1 3601/4885
US-20140303157-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO KDM4E 3322/4885CTSL 775/4885BUB1 4264/4885

“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.