SCHEMBL16632715

SCHEMBL16632715

CCOC(=O)c1cc(CC)n(O)n1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
MAPT P10636 4/20 0.43
KMT2A Q03164 4/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.42
TP53 P04637 1/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
THRB P10828 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 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
SCHEMBL1233249 0.83 MPO (0.49) CYP1A2MAPTKMT2AGAATSHR
SCHEMBL1234207 0.82 MAPT (0.45) CYP1A2MAPTKMT2AGAATSHR
SCHEMBL15458737 0.81 CYP1A2 (0.44) CYP1A2MAPTKMT2AGAATSHR
SCHEMBL1233602 0.80 CYP1A2 (0.42) CYP1A2MAPTKMT2AGAATSHR
SCHEMBL1231889 0.77 CNR2 (0.42) CYP1A2MAPTKMT2AGAATP53
SCHEMBL22896893 0.76 KMT2A (0.65) MAPTKMT2AGAATP53POLB
SCHEMBL7697931 0.75 MPO (0.48) CYP1A2MAPTKMT2AGAATP53
SCHEMBL22412805 0.74 MAPT (0.44) CYP1A2MAPTKMT2AGAATP53
SCHEMBL6778177 0.74 MPO (0.47) CYP1A2MAPTKMT2AGAATP53
SCHEMBL22412844 0.74 MAPT (0.44) CYP1A2MAPTKMT2AGAATSHR

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-20150105252-A1 SUBSTITUTED PYRAZOLES AS HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY 2015-04-16 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-20150105252-A1 SUBSTITUTED PYRAZOLES AS HERBICIDES CYP1B1, CYP1A1, DDT CYP1A2 7/4885MAPT 4596/4885KMT2A 3783/4885

“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.