SCHEMBL29919658

SCHEMBL29919658

C[C@H]1CN(c2cccc([N+](=O)[O-])c2F)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.52
ALDH1A1 P00352 5/20 0.52
LMNA P02545 3/20 0.52
GPR119 Q8TDV5 2/20 0.43
MAP4K4 O95819 1/20 0.43
HDAC1 Q13547 1/20 0.41
NR1H2 P55055 3/20 0.41
NR1H3 Q13133 2/20 0.39
UCHL1 P09936 1/20 0.39
CHRM4 P08173 1/20 0.39
GPR174 Q9BXC1 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL29919690 0.86 ALDH1A1 (0.47) MAPTALDH1A1LMNAGPR119MAP4K4
SCHEMBL30635685 0.84 MAPT (0.51) MAPTALDH1A1LMNAGPR119MAP4K4
SCHEMBL29608605 0.84 MAPT (0.58) MAPTALDH1A1LMNAGPR174L3MBTL1
SCHEMBL28773828 0.84 MAPT (0.58) MAPTALDH1A1LMNAGPR174L3MBTL1
SCHEMBL3624023 0.82 AR (0.52) MAPTALDH1A1LMNAGPR119MAP4K4
SCHEMBL18186321 0.82 MAPT (0.76) MAPTALDH1A1LMNAGPR119MAP4K4
SCHEMBL13419658 0.82 MAPT (0.76) MAPTALDH1A1LMNAGPR119MAP4K4
SCHEMBL31337316 0.80 MAPT (0.58) MAPTALDH1A1LMNAGPR119MAP4K4
SCHEMBL24383785 0.80 ALDH1A1 (0.50) MAPTALDH1A1LMNAGPR119MAP4K4
SCHEMBL13156574 0.80 GPR119 (0.47) MAPTALDH1A1LMNAGPR119MAP4K4

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-20220289719-A1 HETEROCYCLIC COMPOUNDS AS MNK INHIBITORS NANJING INNOCARE PHARMA TECH CO., LTD. (CN) 2022-09-15 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-20220289719-A1 HETEROCYCLIC COMPOUNDS AS MNK INHIBITORS NIM1K, MAP3K1, MAPKAPK2 MAPT 1243/4885ALDH1A1 4284/4885LMNA 1587/4885

“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.