SCHEMBL19514656

SCHEMBL19514656

CC(OC(N)=O)c1ccncc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.53
CYP17A1 P05093 2/20 0.53
LMNA P02545 2/20 0.40
MAPT P10636 1/20 0.40
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
ROCK2 O75116 2/20 0.38
ROCK1 Q13464 2/20 0.38
CYP2C9 P11712 2/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
TSHR P16473 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL28619514 0.90 CYP17A1 (0.44) CYP19A1CYP17A1CCNCCDK8ROCK2
SCHEMBL28619512 0.90 CYP17A1 (0.44) CYP19A1CYP17A1CCNCCDK8ROCK2
SCHEMBL10516365 0.82 CYP19A1 (0.54) CYP19A1CYP17A1MAPTALDH1A1L3MBTL1
SCHEMBL5956415 0.80 HCAR2 (0.58) LMNAALDH1A1HCAR2CYP3A4
SCHEMBL264866 0.80 HCAR2 (0.58) LMNAALDH1A1HCAR2CYP3A4
SCHEMBL27820414 0.80 HCAR2 (0.58) LMNAALDH1A1HCAR2CYP3A4
SCHEMBL6478149 0.80 HCAR2 (0.58) LMNAALDH1A1HCAR2CYP3A4
SCHEMBL13065872 0.79 CYP17A1 (0.57) CYP19A1CYP17A1LMNAALDH1A1L3MBTL1
SCHEMBL514412 0.78 HCAR2 (0.40) LMNAALDH1A1HCAR2CYP2C9CHRM2
SCHEMBL22772305 0.78 ESR1 (0.46) LMNAMAPTHCAR2CYP2C9CHRM2

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-11324827-B2 Multifunctionalized polyethylene glycol derivative and preparation method therefor XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2022-05-10 US disclosed
US-20170312363-A1 MULTIFUNCTIONALIZED POLYETHYLENE GLYCOL DERIVATIVE AND PREPARATION METHOD THEREFOR XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2017-11-02 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 (2 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-11324827-B2 Multifunctionalized polyethylene glycol derivative and preparation method therefor HDGF, F11, F12 CYP19A1 1883/4885CYP17A1 1639/4885LMNA 826/4885
US-20170312363-A1 MULTIFUNCTIONALIZED POLYETHYLENE GLYCOL DERIVATIVE AND PREPARATION METHOD THEREFOR HDGF, F11, F12 CYP19A1 1883/4885CYP17A1 1639/4885LMNA 826/4885

“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.