SCHEMBL3196270

SCHEMBL3196270

CCOC(=O)C1CN(C)c2cccc(Br)c2O1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
KMT2A Q03164 7/20 0.42
ALDH1A1 P00352 6/20 0.41
MEN1 O00255 4/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
RECQL P46063 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL7824844 0.88 POLB (0.45) POLBTDP1CTDSP1KMT2AALDH1A1
SCHEMBL7821955 0.82 TDP1 (0.56) POLBTDP1CTDSP1KMT2AALDH1A1
SCHEMBL3203157 0.81 TDP1 (0.40) POLBTDP1CTDSP1KMT2AALDH1A1
SCHEMBL7820037 0.81 POLB (0.53) POLBKMT2AALDH1A1MEN1NPSR1
SCHEMBL7831090 0.79 NISCH (0.46) POLBKMT2AALDH1A1MEN1
SCHEMBL7818619 0.76 ALDH1A1 (0.58) POLBKMT2AALDH1A1MEN1CYP3A4
SCHEMBL7808798 0.76 ALDH1A1 (0.60) POLBTDP1KMT2AALDH1A1MEN1
SCHEMBL7818287 0.74 POLB (0.73) POLBKMT2AALDH1A1MEN1CYP3A4
SCHEMBL7810147 0.74 POLB (0.55) POLBTDP1KMT2AALDH1A1MEN1
SCHEMBL3207330 0.74 TDP1 (0.43) POLBTDP1CTDSP1KMT2AALDH1A1

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-20100035871-A1 BENZOXAZINE DERIVATIVES AND USES THEREOF WYETH 2010-02-11 US disclosed
US-20100035871-A1 BENZOXAZINE DERIVATIVES AND USES THEREOF WYETH 2010-02-11 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-20100035871-A1 BENZOXAZINE DERIVATIVES AND USES THEREOF HTR2C, HTR5A, NPY1R POLB 4412/4885TDP1 2282/4885CTDSP1 3846/4885

“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.