SCHEMBL5521767

SCHEMBL5521767

CCC(C)C(NC(=O)OC(C)(C)C)C(=O)OCOC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.57
MAPT P10636 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
HTR2A P28223 1/20 0.45
GAA P10253 2/20 0.45
NPSR1 Q6W5P4 1/20 0.42
MGLL Q99685 2/20 0.41
CA2 P00918 2/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
BCL9 O00512 1/20 0.40
CTNNB1 P35222 1/20 0.40
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
PSENEN Q9NZ42 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
SCHEMBL22137002 0.90 ALDH1A1 (0.67) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL26226843 0.90 ALDH1A1 (0.67) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL16284648 0.90 ALDH1A1 (0.67) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL2032096 0.88 HTR2A (0.50) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL5983721 0.86 MGLL (0.48) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL25911506 0.83 MAPT (0.53) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL7341887 0.79 MAPT (0.64) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL6449604 0.79 MGLL (0.52) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL19668455 0.79 MAPT (0.64) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL5764186 0.78 HTR2A (0.61) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A

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-7199105-B2 Lincomycin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS, INC. (US) 2007-04-03 US disclosed
US-20040230046-A1 Lincomycin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. 2004-11-18 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-20040230046-A1 Lincomycin derivatives possessing antibacterial activity NRDC, NISCH, CLSPN ALDH1A1 2737/4885MAPT 4332/4885SMN1; SMN2 3897/4885

“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.