SCHEMBL4868910

SCHEMBL4868910

C=CCN(C(=O)OCc1ccccc1)c1cc(C(=O)OC)cc([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
RAB9A P51151 4/20 0.40
KMT2A Q03164 1/20 0.40
HPGD P15428 2/20 0.40
HTT P42858 1/20 0.40
LMNA P02545 1/20 0.40
ALOX5 P09917 2/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CCR5 P51681 1/20 0.38
NPC1 O15118 1/20 0.38
PDE1C Q14123 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
SCHEMBL2528439 0.90 ALDH1A1 (0.40) ALDH1A1RAB9AKMT2AHPGDHTT
SCHEMBL4874436 0.90 CCR5 (0.41) ALDH1A1RAB9AKMT2AHTTLMNA
SCHEMBL4878311 0.86 HPGD (0.47) ALDH1A1RAB9AKMT2AHPGDLMNA
SCHEMBL2532552 0.85 HPGD (0.44) ALDH1A1RAB9AKMT2AHPGDLMNA
SCHEMBL2530507 0.84 ALDH1A1 (0.43) ALDH1A1RAB9AKMT2AHPGDLMNA
SCHEMBL2533468 0.84 ALDH1A1 (0.43) ALDH1A1RAB9AKMT2AHPGDLMNA
SCHEMBL2526880 0.84 TSHR (0.47) ALDH1A1RAB9AKMT2AHPGDLMNA
SCHEMBL4877948 0.83 ALDH1A1 (0.43) ALDH1A1RAB9AKMT2AHPGDLMNA
SCHEMBL2531178 0.83 HPGD (0.42) ALDH1A1RAB9AKMT2AHPGDLMNA
SCHEMBL2527578 0.83 ALDH1A1 (0.43) ALDH1A1RAB9AKMT2AHPGDLMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080132477-A1 Macrocyclic Compounds Useful as Bace Inhibitors NOVARTIS AG (CH) 2008-06-05 US disclosed
EP-1851208-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS Novartis AG (CH) 2007-11-07 EP disclosed
WO-2006074950-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2006-07-20 WO 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-20080132477-A1 Macrocyclic Compounds Useful as Bace Inhibitors BACE1, BACE2, APP ALDH1A1 2631/4885RAB9A 2224/4885KMT2A 3447/4885

“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.