SCHEMBL6981812

SCHEMBL6981812

CCCCn1c(NC(=O)c2ccccc2)c(S(=O)(=O)c2ccc(C)cc2)c2nc3ccccc3nc21

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SAE1 Q9UBE0 8/20 0.89
UBA2 Q9UBT2 8/20 0.89
KDM4E B2RXH2 15/20 0.77
ALDH1A1 P00352 13/20 0.77
HPGD P15428 12/20 0.77
MAPT P10636 8/20 0.77
GAA P10253 8/20 0.77
GLA P06280 8/20 0.77
HTT P42858 5/20 0.77
MEN1 O00255 5/20 0.77
KMT2A Q03164 5/20 0.77
LMNA P02545 5/20 0.77
POLB P06746 3/20 0.77
RECQL P46063 2/20 0.77
BLM P54132 6/20 0.73
NPSR1 Q6W5P4 4/20 0.73
ALOX12 P18054 2/20 0.73
SMN1; SMN2 Q16637 4/20 0.73
L3MBTL1 Q9Y468 4/20 0.73
RXFP1 Q9HBX9 3/20 0.73

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
SCHEMBL15256906 0.94 SAE1 (1.00) SAE1UBA2KDM4EALDH1A1HPGD
SCHEMBL26665087 0.92 SAE1 (0.75) SAE1UBA2KDM4EALDH1A1HPGD
SCHEMBL15256901 0.84 KDM4E (1.00) SAE1UBA2KDM4EALDH1A1HPGD
SCHEMBL15256869 0.83 KDM4E (0.75) SAE1UBA2KDM4EALDH1A1HPGD
SCHEMBL15256902 0.83 SAE1 (0.78) SAE1UBA2KDM4EALDH1A1HPGD
SCHEMBL15256911 0.81 KDM4E (0.65) SAE1UBA2KDM4EALDH1A1HPGD
SCHEMBL6981187 0.80 KDM4E (1.00) SAE1UBA2KDM4EALDH1A1HPGD
SCHEMBL8163981 0.80 KDM4E (0.73) SAE1UBA2KDM4EALDH1A1HPGD
SCHEMBL15256873 0.79 SAE1 (0.87) SAE1UBA2KDM4EALDH1A1HPGD
SCHEMBL15256904 0.78 KDM4E (0.89) SAE1UBA2KDM4EALDH1A1HPGD

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-9045483-B2 Inhibition of small ubiquitin-like modifier enzymes with substituted pyrrolo[2,3-b]quinoxalines CITY OF HOPE (US) 2015-06-02 US disclosed
US-20130245032-A1 BICYCLIC AND TRICYCLIC INHIBITORS OF SUMOYLATION ENZYMES AND METHODS OF THEIR USE Sanford-Burnham Medical Research Institute at Lake Nona (US) 2013-09-19 US disclosed
WO-2012064897-A2 BICYCLIC AND TRICYCLIC INHIBITORS OF SUMOYLATION ENZYMES AND METHODS FOR THEIR USE CHEN YUAN (US) 2012-05-18 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 (1 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-20130245032-A1 BICYCLIC AND TRICYCLIC INHIBITORS OF SUMOYLATION ENZYMES AND METHODS OF THEIR USE SUMO1, SUMO2, SAE1 SAE1 3/4885UBA2 4/4885KDM4E 386/4885

“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.