SCHEMBL3216797

SCHEMBL3216797

COc1cccc(OCC2CO2)c1NC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
GLA P06280 1/20 0.50
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
TSHR P16473 2/20 0.42
CYP3A4 P08684 2/20 0.42
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HIF1A Q16665 1/20 0.42
ADRA2C P18825 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 2/20 0.40
PKM P14618 1/20 0.40
DRD4 P21917 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL3808789 0.88 ALDH1A1 (0.59) ALDH1A1GLALMNAMAPTTSHR
SCHEMBL3807460 0.85 ALDH1A1 (0.49) ALDH1A1GLALMNAMAPTTSHR
SCHEMBL9538104 0.81 ALDH1A1 (0.45) ALDH1A1GLALMNAMAPTSMN1; SMN2
SCHEMBL3814852 0.81 BRD4 (0.57) ALDH1A1GLALMNAMAPTGAA
SCHEMBL3809740 0.81 BRD4 (0.57) ALDH1A1GLALMNAMAPTGAA
SCHEMBL7500143 0.81 KDM4E (0.53) ALDH1A1LMNAMAPTMAPK1TP53
SCHEMBL11198040 0.79 ALDH1A1 (0.51) ALDH1A1LMNAMAPTGAAMAPK1
SCHEMBL7282918 0.76 ALDH1A1 (0.71) ALDH1A1GLAMAPTTSHRCYP3A4
SCHEMBL93244 0.76 ALDH1A1 (0.71) ALDH1A1GLAMAPTTSHRCYP3A4
SCHEMBL3634571 0.76 ALDH1A1 (0.71) ALDH1A1GLAMAPTTSHRCYP3A4

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 ALDH1A1 1164/4885GLA 2285/4885LMNA 2272/4885

“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.