SCHEMBL2285290

SCHEMBL2285290

O=C(O)c1ccc2ccn3c2c1OC=C3

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.31
WDR5 P61964 1/20 0.31
LDHA P00338 1/20 0.30

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
SCHEMBL4886251 0.74 CYP1A2 (0.31) CYP1A2WDR5
SCHEMBL4892473 0.57 CYP1A2 (0.32) CYP1A2WDR5LDHA
SCHEMBL20957575 0.57 ALDH1A1 (0.44)
SCHEMBL898994 0.56 CYP1A2 (0.72) CYP1A2WDR5LDHA
SCHEMBL10792029 0.55 KDM4E (0.48) CYP1A2
SCHEMBL8861245 0.53 SELL (0.52) CYP1A2
SCHEMBL11662563 0.53 KDM4E (0.48) CYP1A2
SCHEMBL29417502 0.52 CYP1A2 (1.00) CYP1A2WDR5LDHA
SCHEMBL22122 0.52 CYP1A2 (1.00) CYP1A2WDR5LDHA
SCHEMBL13445966 0.51 CYP1A2 (0.55) CYP1A2WDR5LDHA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7998951-B2 treating hepatitis C infection; 6-cyclohexyl-2,3-dihydro-5-phenyl-1,4-oxazino[2,3,4-hi]indole-9-carboxylic acid BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-16 US disclosed
WO-2008109584-A1 HCV NS5B INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-09-12 WO disclosed
US-20080221090-A1 HCV NS5B Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-09-11 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 (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-20080221090-A1 HCV NS5B Inhibitors EIF2AK2, HAVCR2, EIF5B CYP1A2 362/4885WDR5 2086/4885LDHA 4414/4885

“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.