SCHEMBL25252579

SCHEMBL25252579

CC(C)(C)OC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.55
MAPT P10636 5/20 0.49
ALDH1A1 P00352 4/20 0.49
LMNA P02545 2/20 0.49
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
FAAH O00519 1/20 0.40
MGLL Q99685 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRA6 Q16445 1/20 0.39

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
SCHEMBL31273283 0.82 MAPT (0.63) HTTMAPTALDH1A1LMNAL3MBTL1
SCHEMBL27315259 0.79 HTT (0.60) HTTMAPTALDH1A1LMNACA12
SCHEMBL20566659 0.78 MAPT (0.43) MAPTALDH1A1LMNAFAAHMGLL
SCHEMBL27312016 0.78 HTT (0.59) HTTMAPTALDH1A1LMNACA12
SCHEMBL31274673 0.75 MAPT (0.54) HTTMAPTALDH1A1LMNAL3MBTL1
SCHEMBL15004830 0.75 MAPT (0.52) HTTMAPTALDH1A1LMNAMAPK1
SCHEMBL28354521 0.74 HTT (0.65) HTTMAPTALDH1A1LMNATDP1
SCHEMBL9369399 0.73 HTT (0.68) HTTMAPTALDH1A1LMNAFAAH
SCHEMBL2616111 0.73 MAPK1 (0.56) MAPTALDH1A1LMNAMAPK1L3MBTL1
SCHEMBL15956178 0.72 CYP2C19 (0.55) MAPTALDH1A1LMNAGABRA1GABRG2

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-20230219897-A1 PYRAZOLE MAGL INHIBITORS H. LUNDBECK A/S (DK) 2023-07-13 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-20230219897-A1 PYRAZOLE MAGL INHIBITORS MGLL, PNLIP, LPL HTT 4418/4885MAPT 2499/4885ALDH1A1 2448/4885

“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.