SCHEMBL3209871

SCHEMBL3209871

NC[C@@H]1CNc2cc(F)cc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)c2O1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 1/20 0.39
KIF11 P52732 1/20 0.33
KMT2A Q03164 3/20 0.32
ATM Q13315 1/20 0.32
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30
MEN1 O00255 2/20 0.30
GAA P10253 2/20 0.30
MAPT P10636 2/20 0.30
KDM4E B2RXH2 1/20 0.30
DAO P14920 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL3209724 1.00 AQP1 (0.39) AQP1KIF11KMT2AATMALOX5AP
SCHEMBL3199609 1.00 AQP1 (0.39) AQP1KIF11KMT2AATMALOX5AP
SCHEMBL3219767 0.91 AQP1 (0.36) AQP1KIF11KMT2AATMMEN1
SCHEMBL3205940 0.91 AQP1 (0.36) AQP1KIF11KMT2AATMMEN1
SCHEMBL3210976 0.91 AQP1 (0.36) AQP1KIF11KMT2AATMMEN1
SCHEMBL3195090 0.91 AQP1 (0.40) AQP1GAA
SCHEMBL3207403 0.91 AQP1 (0.40) AQP1GAA
SCHEMBL3208760 0.91 AQP1 (0.40) AQP1GAA
SCHEMBL3207825 0.88 AQP1 (0.38) AQP1
SCHEMBL3222278 0.88 AQP1 (0.38) AQP1

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 claimed

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 AQP1 2125/4885KIF11 4712/4885KMT2A 2186/4885

“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.