SCHEMBL3406464

SCHEMBL3406464

COC(=O)NC1(c2cccnc2)CCC2(CC1)OCCO2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 3/20 0.42
POLB P06746 1/20 0.41
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ALDH1A1 P00352 4/20 0.38
CYP2D6 P10635 1/20 0.38
HPGD P15428 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
HTT P42858 1/20 0.37
KIF11 P52732 1/20 0.37
ITGA4 P13612 1/20 0.36
ITGB7 P26010 1/20 0.36
LMNA P02545 1/20 0.36
DYRK1A Q13627 1/20 0.36
P2RX7 Q99572 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35

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
SCHEMBL3407459 0.80 VNN1 (0.40) VNN1HDAC3HDAC1HDAC2HDAC6
SCHEMBL29438096 0.80 VNN1 (0.52) VNN1POLBALDH1A1CYP2D6HPGD
SCHEMBL19322923 0.80 VNN1 (0.52) VNN1POLBALDH1A1CYP2D6HPGD
SCHEMBL23778929 0.77 RAB9A (0.48) VNN1POLBALDH1A1CYP2D6HPGD
SCHEMBL17444124 0.77 OPRM1 (0.47) VNN1HDAC3HDAC1HDAC2HDAC6
SCHEMBL23778528 0.74 VNN1 (0.56) VNN1POLBALDH1A1HPGDKDM4E
SCHEMBL3406351 0.74 POLB (0.62) POLBALDH1A1CYP2D6KDM4ELMNA
SCHEMBL1721462 0.73 ALDH1A1 (0.48) POLBALDH1A1CYP2D6HPGDSMN1; SMN2
SCHEMBL3412655 0.73 OPRM1 (0.42) VNN1HDAC3HDAC1HDAC2HDAC6
SCHEMBL23778505 0.72 HIF1A (0.39) POLBALDH1A1CYP2D6HPGDKDM4E

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
EP-2257527-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-12-08 EP disclosed
US-20090253669-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-08 US disclosed
US-20090253669-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-08 US disclosed
US-20090253669-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-08 US disclosed
WO-2009115257-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-09-24 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-20090253669-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 VNN1 2917/4885POLB 2576/4885HDAC3 2111/4885

“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.