SCHEMBL848815

SCHEMBL848815

COC(=O)C1=CSCN1c1cccc(OCCCCCOC2CCCCO2)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4C Q9H3R0 1/20 0.37
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
EPHX2 P34913 3/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ACACB O00763 1/20 0.34
ACACA Q13085 1/20 0.34
P2RX3 P56373 1/20 0.34
CNR2 P34972 1/20 0.33
CNR1 P21554 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
GRM2 Q14416 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL2499084 0.75 KMT2A (0.53) MEN1KMT2AKDM4CRAB9ANPC1
SCHEMBL1531787 0.74 MEN1 (0.76) MEN1KMT2ARAB9ANPC1KDM4E
SCHEMBL12768508 0.74 MEN1 (0.76) MEN1KMT2ARAB9ANPC1KDM4E
SCHEMBL846498 0.73 MEN1 (0.49) MEN1KMT2AKDM4CRAB9ANPC1
SCHEMBL848069 0.73 MEN1 (0.47) MEN1KMT2AKDM4CRAB9ANPC1
SCHEMBL20128976 0.72 MEN1 (0.56) MEN1KMT2AKDM4CRAB9ANPC1
SCHEMBL20120491 0.72 MEN1 (0.59) MEN1KMT2AKDM4CRAB9ANPC1
SCHEMBL29773894 0.72 MEN1 (0.59) MEN1KMT2AKDM4CRAB9ANPC1
SCHEMBL19504615 0.71 MEN1 (0.72) MEN1KMT2ARAB9ANPC1KDM4E
SCHEMBL7335775 0.71 MEN1 (0.71) MEN1KMT2ARAB9ANPC1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8703700-B2 Bimacrocylic HCV NS3 protease inhibitors SEQUOIA PHARMACEUTICALS, INC. (US) 2014-04-22 US disclosed
US-20120141414-A1 Bimacrocylic HCV NS3 Protease Inhibitors SEQUOIA PHARMACEUTICALS, INC. (US) 2012-06-07 US disclosed
EP-2432318-A1 BIMACROCYCLIC HCV NS3 PROTEASE INHIBITORS Sequoia Pharmaceuticals, Inc. (US) 2012-03-28 EP disclosed
WO-2010135748-A1 BIMACROCYCLIC HCV NS3 PROTEASE INHIBITORS SEQUOIA PHARMACEUTICALS INC. (US) 2010-11-25 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-20120141414-A1 Bimacrocylic HCV NS3 Protease Inhibitors HAVCR2, CTRC, CTSC MEN1 4791/4885KMT2A 4266/4885KDM4C 3297/4885

“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.