SCHEMBL14218702

SCHEMBL14218702

CCN1CC(=O)Nc2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.67
HDAC2 Q92769 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
ALDH1A1 P00352 7/20 0.52
KDM4E B2RXH2 4/20 0.52
CASP3 P42574 1/20 0.51
CASP2 P42575 1/20 0.51
KMT2A Q03164 3/20 0.50
HTT P42858 3/20 0.49
MAPT P10636 2/20 0.49
MEN1 O00255 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
POLB P06746 1/20 0.49
LMNA P02545 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NPC1 O15118 1/20 0.46
GAA P10253 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL21037372 0.87 EPHX2 (0.63) EPHX2HDAC2HDAC8HDAC6ALDH1A1
SCHEMBL14218693 0.83 EPHX2 (0.51) EPHX2HDAC2HDAC8HDAC6ALDH1A1
SCHEMBL7044848 0.83 EPHX2 (0.58) EPHX2HDAC2HDAC8HDAC6ALDH1A1
SCHEMBL14067244 0.83 EPHX2 (0.67) EPHX2HDAC2HDAC8HDAC6ALDH1A1
SCHEMBL24200101 0.80 EPHX2 (1.00) EPHX2HDAC2HDAC8HDAC6ALDH1A1
SCHEMBL29778121 0.80 EPHX2 (1.00) EPHX2HDAC2HDAC8HDAC6ALDH1A1
SCHEMBL4705905 0.80 EPHX2 (0.68) EPHX2HDAC2HDAC8HDAC6ALDH1A1
SCHEMBL15330898 0.80 EPHX2 (0.63) EPHX2HDAC2HDAC8HDAC6ALDH1A1
SCHEMBL15332367 0.78 EPHX2 (0.60) EPHX2HDAC2HDAC8HDAC6ALDH1A1
SCHEMBL24359573 0.77 EPHX2 (0.56) EPHX2HDAC2HDAC8HDAC6ALDH1A1

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
US-20210253599-A1 PROCESS FOR THE PREPARATION OF TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS FOR USING THE SAME FOR THE TREATMENT OF CANCER GENENTECH, INC. 2021-08-19 US disclosed
US-10919850-B2 Covalent inhibitors of KRas G12C ARAXES PHARMA LLC (US) 2021-02-16 US disclosed
US-20150291598-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2015-10-15 US disclosed
US-7378411-B2 Substituted thienopyrimidinones as a mitotic kinesin inhibitor MERCK & CO., INC. (US) 2008-05-27 US disclosed
US-7262186-B2 Substituted pyrazolo[3,4-d] pyrimidinones as a mitotic kinesin inhibitor MERCK & CO., INC. (US) 2007-08-28 US disclosed
US-7244723-B2 Substituted furopyrimidinones as a mitotic kinesin inhibitors MERCK & CO., INC. (US) 2007-07-17 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 (3 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-20210253599-A1 PROCESS FOR THE PREPARATION OF TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS FOR USING THE SAME FOR THE TREATMENT OF CANCER PIK3CA, PIK3CD, PIK3CB EPHX2 1909/4885HDAC2 1486/4885HDAC8 781/4885
US-20150291598-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES CYP11B2, CYP11B1, SLC10A1 EPHX2 897/4885HDAC2 1676/4885HDAC8 2031/4885
US-10919850-B2 Covalent inhibitors of KRas G12C KRAS, NRAS, HRAS EPHX2 1801/4885HDAC2 1239/4885HDAC8 1187/4885

“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.