SCHEMBL10209484

SCHEMBL10209484

COc1c(I)cccc1C/[N+]([O-])=C/C(C)=O

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.31
PRMT1 Q99873 1/20 0.31
ABCB1 P08183 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
SCHEMBL10266279 0.88 KMT2A (0.34) NFE2L2PRMT1
SCHEMBL14970045 0.77 KMT2A (0.34) NFE2L2
SCHEMBL10209523 0.74 THRB (0.34)
SCHEMBL10209695 0.74 TLR4 (0.40)
SCHEMBL13005779 0.73 CYP1A2 (0.38)
SCHEMBL10209584 0.69 MEP1B (0.31)
SCHEMBL10209544 0.69 TLR4 (0.35)
SCHEMBL1679589 0.69 ALDH1A1 (0.38)
SCHEMBL13005774 0.69 CYP1A2 (0.41)
SCHEMBL6045280 0.69 CYP1A2 (0.41)

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-20130131063-A1 Compounds and Methods for Inhibiting the Interaction of BCL Proteins with Binding Partners INFINITY PHARMACEUTICALS, INC. (US) 2013-05-23 US disclosed
US-8178690-B2 Compounds and methods for inhibiting the interaction of BCL proteins with binding partners INFINITY PHARMACEUTICALS, INC. (US) 2012-05-15 US disclosed
US-20110213145-A1 Compounds and Methods for Inhibiting the Interaction of BCL Proteins with Binding Partners INFINITY DISCOVERY, INC. (US) 2011-09-01 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-20110213145-A1 Compounds and Methods for Inhibiting the Interaction of BCL Proteins with Binding Partners BCL2, BCL2L1, BCL2L11 NFE2L2 1446/4885PRMT1 1998/4885ABCB1 1259/4885
US-20130131063-A1 Compounds and Methods for Inhibiting the Interaction of BCL Proteins with Binding Partners BCL2, BCL2L1, BCL2L11 NFE2L2 1446/4885PRMT1 1998/4885ABCB1 1259/4885

“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.