SCHEMBL30074251

SCHEMBL30074251

CC(O)c1ccc2[nH]ncc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.50
NOS1 P29475 4/20 0.50
ROCK1 Q13464 3/20 0.50
MAPT P10636 3/20 0.50
KDM4E B2RXH2 2/20 0.50
MEN1 O00255 2/20 0.50
ALDH1A1 P00352 2/20 0.50
KMT2A Q03164 2/20 0.50
METAP2 P50579 1/20 0.50
CSNK2A1 P68400 1/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.50
RAB9A P51151 1/20 0.50
HIF1A Q16665 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
TRPA1 O75762 2/20 0.48
UGT2B7 P16662 1/20 0.47
CLK1 P49759 2/20 0.46
GSK3B P49841 2/20 0.46
DYRK3 O43781 1/20 0.46

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
SCHEMBL3722916 0.86 MAPT (0.54) NOS1MAPTKDM4EMEN1ALDH1A1
SCHEMBL84462 0.85 TRPA1 (0.54) ROCK2NOS1ROCK1MAPTKDM4E
SCHEMBL22079235 0.82 ROCK2 (0.55) ROCK2NOS1ROCK1MAPTKDM4E
SCHEMBL1754871 0.82 ROCK2 (0.55) ROCK2NOS1ROCK1MAPTKDM4E
SCHEMBL20841219 0.82 NOS1 (0.55) ROCK2NOS1ROCK1MAPTKDM4E
SCHEMBL27995719 0.82 NOS1 (0.55) ROCK2NOS1ROCK1MAPTKDM4E
SCHEMBL263567 0.82 ROCK2 (0.55) ROCK2NOS1ROCK1MAPTKDM4E
SCHEMBL29520764 0.81 TRPA1 (0.54) ROCK2NOS1ROCK1MAPTKDM4E
Hydrochloric Acid SCHEMBL28598925 0.81 ROCK2 (0.53) ROCK2NOS1ROCK1MAPTKDM4E
Hydrochloric Acid SCHEMBL29915566 0.81 ROCK2 (0.53) ROCK2NOS1ROCK1MAPTKDM4E

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-11530189-B2 Carbamate compounds and methods of making and using same H. LUNDBECKA/S (DK) 2022-12-20 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-11530189-B2 Carbamate compounds and methods of making and using same ABHD6, ABHD16A, RABL6 ROCK2 3084/4885NOS1 2113/4885ROCK1 2844/4885

“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.