SCHEMBL6981187

SCHEMBL6981187

CCCCn1c(N)c(S(=O)(=O)c2ccc(C)cc2)c2nc3ccccc3nc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 18/20 1.00
ALDH1A1 P00352 15/20 1.00
GAA P10253 13/20 1.00
MAPT P10636 11/20 1.00
GLA P06280 10/20 1.00
HTT P42858 5/20 1.00
LMNA P02545 4/20 1.00
L3MBTL1 Q9Y468 2/20 1.00
RAB9A P51151 1/20 1.00
SAE1 Q9UBE0 4/20 0.85
UBA2 Q9UBT2 4/20 0.85
HPGD P15428 12/20 0.82
NPSR1 Q6W5P4 5/20 0.76
ALOX15 P16050 4/20 0.70
CASP1 P29466 4/20 0.70
CASP7 P55210 4/20 0.70
HSD17B10 Q99714 4/20 0.70
PKM P14618 3/20 0.70
SMN1; SMN2 Q16637 2/20 0.70
USP2 O75604 2/20 0.70

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
SCHEMBL17817473 0.96 KDM4E (0.92) KDM4EALDH1A1GAAMAPTGLA
SCHEMBL17817474 0.96 KDM4E (0.92) KDM4EALDH1A1GAAMAPTGLA
SCHEMBL6981236 0.93 KDM4E (0.88) KDM4EALDH1A1GAAMAPTGLA
SCHEMBL15256914 0.92 SAE1 (1.00) KDM4EALDH1A1GAAMAPTGLA
SCHEMBL15256861 0.82 SAE1 (0.77) KDM4EALDH1A1GAAMAPTGLA
SCHEMBL15256901 0.82 KDM4E (1.00) KDM4EALDH1A1GAAMAPTGLA
SCHEMBL15256869 0.81 KDM4E (0.75) KDM4EALDH1A1GAAMAPTGLA
SCHEMBL15256919 0.81 KDM4E (0.68) KDM4EALDH1A1GAAMAPTGLA
SCHEMBL6981812 0.80 SAE1 (0.89) KDM4EALDH1A1GAAMAPTGLA
SCHEMBL15256916 0.76 KDM4E (0.62) KDM4EALDH1A1GAAMAPTGLA

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 5 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-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
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 KDM4E 386/4885ALDH1A1 1193/4885GAA 1531/4885

“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.