SCHEMBL4831483

SCHEMBL4831483

O=C(O)c1ccc2cc3n(c2c1)C=CCc1cccnc1-3

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 3/20 0.35
KDM4A O75164 2/20 0.35
KDM4C Q9H3R0 2/20 0.35
KDM6B O15054 1/20 0.35
KDM5C P41229 1/20 0.35
KDM2A Q9Y2K7 1/20 0.35
KDM3A Q9Y4C1 1/20 0.35
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
POLB P06746 1/20 0.34
FGFR1 P11362 1/20 0.34
KDM5A P29375 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
RORC P51449 2/20 0.33
RPS6KA3 P51812 1/20 0.33
RPS6KA2 Q15349 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
SCHEMBL4829827 0.90 RPS6KA3 (0.41) FGFR1RPS6KA3RPS6KA2SLC40A1
SCHEMBL4825624 0.83 CA12 (0.35) SMN1; SMN2MEN1KMT2AKDM4EKDM4A
SCHEMBL4826983 0.81 SLC40A1 (0.36) SMN1; SMN2MEN1KMT2AKDM4EKDM4A
SCHEMBL3244153 0.81 SRD5A2 (0.43) MEN1KMT2AKDM4EKDM4AKDM4C
SCHEMBL4829961 0.80 SMN1; SMN2 (0.40) SMN1; SMN2MEN1KMT2AKDM4EFNTA
SCHEMBL4828066 0.77 GAA (0.34) SMN1; SMN2MEN1KMT2AKDM4EKDM4C
SCHEMBL4830100 0.77 KDM4E (0.37) KDM4EKDM4AKDM6BKDM5CKDM2A
SCHEMBL4830030 0.77 SLC22A12 (0.35) RPS6KA3RPS6KA2
SCHEMBL4823385 0.71 RPS6KA3 (0.41) FGFR1RPS6KA3RPS6KA2GSK3BSLC40A1
SCHEMBL4823474 0.71 POLB (0.36) SMN1; SMN2MEN1KMT2AKDM4EKDM4A

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 6 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
EP-1776368-A1 INHIBITORS OF HCV REPLICATION Bristol-Myers Squibb Company (US) 2007-04-25 EP 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
WO-2006020082-A1 INHIBITORS OF HCV REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-23 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 (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 SMN1; SMN2 4394/4885MEN1 4615/4885KMT2A 3626/4885
US-20060046983-A1 Inhibitors of HCV replication EIF2AK2, HCCS, IDO1 SMN1; SMN2 4394/4885MEN1 4615/4885KMT2A 3626/4885

“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.