SCHEMBL5693187

SCHEMBL5693187

CC(=O)N1CCN(c2ccc(C=O)cc2[N+](=O)[O-])CC1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.69
ALDH1A1 P00352 7/20 0.69
ALDH1A3 P47895 1/20 0.69
SMN1; SMN2 Q16637 4/20 0.55
NPC1 O15118 1/20 0.55
GPR174 Q9BXC1 2/20 0.55
LMNA P02545 5/20 0.54
HTT P42858 5/20 0.54
KMT2A Q03164 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MAPK1 P28482 3/20 0.52
RECQL P46063 1/20 0.50
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49
CYP2C19 P33261 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL23884700 0.94 MAPT (0.59) MAPTALDH1A1ALDH1A3SMN1; SMN2NPC1
SCHEMBL5693165 0.84 MAPT (0.62) MAPTALDH1A1ALDH1A3SMN1; SMN2LMNA
SCHEMBL27917040 0.84 ALDH1A1 (0.76) MAPTALDH1A1ALDH1A3SMN1; SMN2LMNA
SCHEMBL1419188 0.82 ALDH1A1 (1.00) MAPTALDH1A1ALDH1A3SMN1; SMN2NPC1
SCHEMBL16123482 0.82 MAPT (0.60) MAPTALDH1A1SMN1; SMN2NPC1GPR174
SCHEMBL5989854 0.82 MAPT (0.72) MAPTALDH1A1SMN1; SMN2NPC1GPR174
SCHEMBL12890005 0.81 GRM5 (0.62) MAPTALDH1A1SMN1; SMN2GPR174LMNA
SCHEMBL1418324 0.81 ALDH1A1 (0.97) MAPTALDH1A1ALDH1A3SMN1; SMN2NPC1
SCHEMBL29912570 0.81 ALDH1A1 (0.97) MAPTALDH1A1ALDH1A3SMN1; SMN2NPC1
SCHEMBL22147373 0.80 MAPT (0.66) MAPTALDH1A1ALDH1A3SMN1; SMN2NPC1

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-20060281789-A1 Protein kinase inhibitors KYOWA HAKKO KOGYO CO., LTD (JP) 2006-12-14 US disclosed
EP-1650194-A1 PROTEIN KINASE INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-04-26 EP 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-20060281789-A1 Protein kinase inhibitors MAP3K20, MAP3K1, MAP3K19 MAPT 1336/4885ALDH1A1 2999/4885ALDH1A3 4253/4885

“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.