SCHEMBL6454652

SCHEMBL6454652

COc1ccc(O)c(-c2ccn(Cc3ncc(C)c(OC)c3C)n2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 2/20 0.40
KMT2A Q03164 4/20 0.39
CYP2C9 P11712 2/20 0.39
WDR5 P61964 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 2/20 0.39
DDAH1 O94760 1/20 0.39
ABCB11 O95342 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ATP1A1 P05023 1/20 0.39
ATP1B1 P05026 1/20 0.39
CYP1A2 P05177 1/20 0.39
CHRM2 P08172 1/20 0.39
ABCB1 P08183 1/20 0.39
CYP3A4 P08684 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CHRM1 P11229 1/20 0.39

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
SCHEMBL6448346 0.74 CYP19A1 (0.46) KMT2AKDM4EMEN1ALDH1A1CYP19A1
SCHEMBL15164101 0.74 AGXT (0.51) ALDH1A1FTOHSP90AA1AGXTTLR7
SCHEMBL15164128 0.70 AGXT (0.42) BRS3KMT2AMEN1FTOHSP90AA1
SCHEMBL6450412 0.69 GUSB (0.43) KMT2ACYP2C9KDM4EMAPTSMN1; SMN2
SCHEMBL16116712 0.67 AGXT (0.40) FTOHSP90AA1AGXTTLR7HSP90AB1
SCHEMBL6454162 0.66 CYP19A1 (0.46) KMT2ACYP2C9KDM4EMAPTHPGD
SCHEMBL6450501 0.65 KMT2A (0.41) KMT2AKDM4EMAPTSMN1; SMN2MEN1
SCHEMBL29382857 0.64 AGXT (0.66) BRS3KMT2ACYP2C9WDR5KDM4E
SCHEMBL1060082 0.64 AGXT (0.66) BRS3KMT2ACYP2C9WDR5KDM4E
SCHEMBL6449917 0.63 MAPT (0.50) KMT2AKDM4EMAPTHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus ANADYS PHARMACEUTICALS, INC. (US) 2005-04-07 US disclosed
WO-2004110351-A2 HETEROCYCLIC COMPOUNDS FOR TREATING HEPATITIS C VIRUS ANADYS PHARMACEUTICALS, INC. (US) 2004-12-23 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 (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-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus HAVCR2, HCCS, LIPC BRS3 2855/4885KMT2A 3600/4885CYP2C9 144/4885

“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.