SCHEMBL4828066

SCHEMBL4828066

O=C(O)c1ccc2cc3n(c2c1)C=CCc1ocnc1-3

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.34
ALDH1A1 P00352 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
NSD2 O96028 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
PABPC1 P11940 1/20 0.33
TNNI3 P19429 1/20 0.33
TNNT2 P45379 1/20 0.33
TNNC1 P63316 1/20 0.33
ACLY P53396 2/20 0.32
HSD17B10 Q99714 2/20 0.32

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) GAAALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL4831483 0.77 SMN1; SMN2 (0.36) KDM4ESMN1; SMN2MEN1KMT2APOLB
SCHEMBL4830100 0.77 KDM4E (0.37) GAAALDH1A1NPC1RAB9AKDM4E
SCHEMBL3244153 0.71 SRD5A2 (0.43) ALDH1A1RAB9AKDM4EHPGDMEN1
SCHEMBL4830030 0.70 SLC22A12 (0.35)
SCHEMBL4826413 0.68 MAPK8 (0.34) ALDH1A1KDM4EHPGDL3MBTL1HSD17B10
SCHEMBL4829827 0.67 RPS6KA3 (0.41) FGFR1
SCHEMBL3075059 0.66 TBXA2R (0.36) GAAALDH1A1KDM4EHPGDKMT2A
SCHEMBL4823474 0.64 POLB (0.36) RAB9AKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL4148741 0.61 KMT2A (0.38) ALDH1A1RAB9AKDM4EHPGDMEN1

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 GAA 967/4885ALDH1A1 920/4885NPC1 731/4885
US-20060046983-A1 Inhibitors of HCV replication EIF2AK2, HCCS, IDO1 GAA 967/4885ALDH1A1 920/4885NPC1 731/4885

“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.