SCHEMBL13487592

SCHEMBL13487592

Bc1cccc2c1OC(C(=O)OCC)CN2

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
HPGD P15428 1/20 0.39
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
TSHR P16473 1/20 0.35
CYSLTR2 Q9NS75 1/20 0.35
CYSLTR1 Q9Y271 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 2/20 0.34
PKM P14618 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL7820349 0.87 TDP1 (0.42) TDP1CTDSP1HPGDALDH1A1KDM4E
SCHEMBL17432611 0.85 TDP1 (0.42) TDP1CTDSP1HPGDALDH1A1KDM4E
SCHEMBL11562786 0.85 TDP1 (0.42) TDP1CTDSP1HPGDALDH1A1KDM4E
SCHEMBL3207330 0.85 TDP1 (0.43) TDP1CTDSP1HPGDALDH1A1KDM4E
SCHEMBL7818425 0.82 TDP1 (0.57) TDP1CTDSP1HPGDALDH1A1KDM4E
SCHEMBL3094266 0.80 TDP1 (0.44) TDP1CTDSP1HPGDALDH1A1KDM4E
SCHEMBL8566458 0.79 HPGD (0.61) TDP1HPGDALDH1A1KDM4ECYP4F2
SCHEMBL924887 0.79 HPGD (0.61) TDP1HPGDALDH1A1KDM4ECYP4F2
SCHEMBL8566461 0.79 HPGD (0.61) TDP1HPGDALDH1A1KDM4ECYP4F2
SCHEMBL7827096 0.78 AR (0.48) TDP1CTDSP1HPGDALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 TDP1 2282/4885CTDSP1 3846/4885HPGD 1159/4885

“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.