SCHEMBL21055082

SCHEMBL21055082

CCOC(CNC(=O)c1ccccc1[N+](=O)[O-])OCC

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.60
CTSD P07339 1/20 0.56
HPGD P15428 2/20 0.55
ALDH1A1 P00352 7/20 0.55
GAA P10253 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MAPT P10636 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
MAPK1 P28482 1/20 0.53
HTT P42858 2/20 0.51
LMNA P02545 2/20 0.50
CYP2C19 P33261 1/20 0.49
GLA P06280 1/20 0.49
RAB9A P51151 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
KDM4E B2RXH2 2/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL15830722 0.83 HPGD (0.64) ATMHPGDALDH1A1SMN1; SMN2MAPT
SCHEMBL13092715 0.82 ATM (0.55) ATMHPGDALDH1A1GAASMN1; SMN2
SCHEMBL1668048 0.81 CTSD (0.64) CTSDHPGDALDH1A1GAASMN1; SMN2
SCHEMBL15814561 0.81 ATM (0.58) ATMHPGDALDH1A1SMN1; SMN2MAPT
SCHEMBL13753006 0.81 CTSD (0.68) CTSDHPGDALDH1A1GAASMN1; SMN2
SCHEMBL695538 0.80 ATM (0.54) ATMHPGDALDH1A1GAASMN1; SMN2
SCHEMBL1207856 0.80 CTSD (0.62) CTSDHPGDALDH1A1GAASMN1; SMN2
SCHEMBL13753116 0.79 CTSD (0.64) CTSDHPGDALDH1A1GAASMN1; SMN2
SCHEMBL5662818 0.78 ALDH1A1 (0.51) CTSDALDH1A1GAASMN1; SMN2MAPT
SCHEMBL28248431 0.77 CTSD (0.67) CTSDHPGDALDH1A1GAASMN1; SMN2

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
US-11524943-B1 Benzocarbonyl compounds VIVACE THERAPEUTICS, INC. (US) 2022-12-13 US disclosed
EP-3720430-A1 BENZOCARBONYL COMPOUNDS Vivace Therapeutics, Inc. (US) 2020-10-14 EP disclosed
WO-2019113236-A1 BENZOCARBONYL COMPOUNDS VIVACE THERAPEUTICS, INC. (US) 2019-06-13 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-11524943-B1 Benzocarbonyl compounds YAP1, TEAD2, TEAD3 ATM 254/4885CTSD 2725/4885HPGD 1202/4885

“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.