SCHEMBL6174530

SCHEMBL6174530

O=Cc1ccc2c(c1)NCCCO2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
HSD17B10 Q99714 3/20 0.46
GAA P10253 2/20 0.46
MAPT P10636 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
TRPV1 Q8NER1 1/20 0.39
PDE3B Q13370 2/20 0.38
PDE3A Q14432 2/20 0.38
KDM4E B2RXH2 2/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
ATM Q13315 1/20 0.38
BRD4 O60885 1/20 0.35
CLK1 P49759 1/20 0.35
DYRK1A Q13627 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
CYP2A6 P11509 1/20 0.34
PRKCI P41743 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
SCHEMBL3775818 0.90 ALDH1A1 (0.57) ALDH1A1HSD17B10GAAMAPTTDP1
SCHEMBL27855319 0.80 ALDH1A1 (0.52) ALDH1A1HSD17B10GAAMAPTTDP1
SCHEMBL1418834 0.78 ALDH1A1 (0.50) ALDH1A1HSD17B10GAAMAPTTDP1
SCHEMBL3516862 0.75 ALDH1A1 (0.71) ALDH1A1HSD17B10GAAMAPTTDP1
SCHEMBL565587 0.75 ALDH1A1 (0.71) ALDH1A1HSD17B10GAAMAPTTDP1
SCHEMBL25634710 0.75 ALDH1A1 (0.47) ALDH1A1HSD17B10GAAMAPTTDP1
SCHEMBL6373230 0.75 MAPT (0.50) ALDH1A1HSD17B10GAAMAPTTDP1
SCHEMBL19744586 0.75 MAPT (0.50) ALDH1A1HSD17B10GAAMAPTPDE3B
SCHEMBL31451377 0.75 ALDH1A1 (0.80) ALDH1A1HSD17B10GAAMAPTPDE3B
SCHEMBL20612394 0.75 MAPT (0.50) ALDH1A1HSD17B10GAAMAPTPDE3B

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
EP-1581529-A1 BENZOXAZINES AND DERIVATIVES THEREOF AS INHIBITORS OF PI3KS WARNER-LAMBERT COMPANY (US) 2005-10-05 EP disclosed
US-20040138199-A1 Benzoxazines and derivatives thereof as therapeutic agents GOGLIOTTI ROCCO DEAN (US) 2004-07-15 US disclosed
WO-2004056820-A1 BENZOXAZINES AND DERIVATIVES THEREOF AS INHIBITORS OF PI3KS WARNER-LAMBERT COMPANY LLC (US) 2004-07-08 WO 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-20040138199-A1 Benzoxazines and derivatives thereof as therapeutic agents XDH, TBXA2R, TBXAS1 ALDH1A1 313/4885HSD17B10 1365/4885GAA 1066/4885

“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.