SCHEMBL4830100

SCHEMBL4830100

O=C(O)c1ccc2cc3n(c2c1)C=CCc1scnc1-3

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HKDC1 Q2TB90 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SRPK1 Q96SB4 1/20 0.34
RPS6KB2 Q9UBS0 1/20 0.34
KDM4A O75164 3/20 0.32
KDM4B O94953 3/20 0.32
KDM5C P41229 3/20 0.32
KDM5B Q9UGL1 3/20 0.32
RPS6KA2 Q15349 1/20 0.32
FGFR1 P11362 1/20 0.32
KDM6B O15054 1/20 0.32
KDM2A Q9Y2K7 1/20 0.32
KDM3A Q9Y4C1 1/20 0.32
MAPKAPK2 P49137 5/20 0.31
CSNK2A1 P68400 2/20 0.31
HSD17B10 Q99714 2/20 0.31

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
SCHEMBL4825624 0.79 CA12 (0.35) KDM4ESRPK1RPS6KB2KDM4AKDM5C
SCHEMBL4828066 0.77 GAA (0.34) KDM4ENPC1RAB9ATDP1L3MBTL1
SCHEMBL4831483 0.77 SMN1; SMN2 (0.36) KDM4ETDP1SRPK1RPS6KB2KDM4A
SCHEMBL3244153 0.71 SRD5A2 (0.43) KDM4ERAB9AKDM4AKDM5BFGFR1
SCHEMBL4830030 0.70 SLC22A12 (0.35) RPS6KA2MAPKAPK2CSNK2A1RPS6KA3
SCHEMBL4826413 0.68 MAPK8 (0.34) KDM4ETDP1L3MBTL1KDM4AKDM4B
SCHEMBL4829827 0.67 RPS6KA3 (0.41) RPS6KA2FGFR1MAPKAPK2RPS6KA3
SCHEMBL3092075 0.64 SRPK1 (0.34) SRPK1RPS6KB2MAPKAPK2CSNK2A1RPS6KA3
SCHEMBL3075059 0.64 TBXA2R (0.36) KDM4EHSD17B10ALDH1A1HPGDACLY
SCHEMBL4823474 0.62 POLB (0.36) KDM4ERAB9AKDM4AKDM5CFGFR1

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-7348425-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-25 US disclosed
US-7153848-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-26 US disclosed
US-20060166964-A1 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY 2006-07-27 US disclosed
US-20060046983-A1 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY 2006-03-02 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 (2 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-20060166964-A1 Inhibitors of HCV replication EIF2AK2, HCCS, IDO1 KDM4E 2251/4885NPC1 731/4885RAB9A 2098/4885
US-20060046983-A1 Inhibitors of HCV replication EIF2AK2, HCCS, IDO1 KDM4E 2251/4885NPC1 731/4885RAB9A 2098/4885

“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.