SCHEMBL4874190

SCHEMBL4874190

C=CCN(C(=O)OCc1ccccc1)c1cc(C(=O)O)c(N)c(C(C)=O)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 3/20 0.35
MAPT P10636 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAOB P27338 1/20 0.34
HCAR2 Q8TDS4 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.32
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
TSPO P30536 1/20 0.32
MCL1 Q07820 1/20 0.32

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
SCHEMBL4651960 0.77 ALDH1A1 (0.49) MAPK1ALDH1A1MAPTTDP1L3MBTL1
SCHEMBL4790217 0.72 ALDH1A1 (0.34) MAPK1ALDH1A1MAPTTDP1L3MBTL1
SCHEMBL2526958 0.72 ALDH1A1 (0.41) SMN1; SMN2RAB9AALDH1A1MAPTTDP1
SCHEMBL8716829 0.71 ALDH1A1 (0.57) SMN1; SMN2NPC1MAPK1RAB9AALDH1A1
SCHEMBL3081849 0.71 HCAR2 (0.47) MAPK1ALDH1A1MAPTTDP1L3MBTL1
SCHEMBL15375412 0.70 HCAR2 (0.42) MAPK1ALDH1A1MAPTTDP1L3MBTL1
SCHEMBL4790214 0.69 METAP2 (0.36) ALDH1A1MAPTLMNAHPGDMCL1
SCHEMBL2531116 0.68 KMT2A (0.38) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL4756433 0.68 KDM4E (0.42) SMN1; SMN2MAPK1RAB9AALDH1A1MAPT
SCHEMBL22844787 0.68 ALDH1A1 (0.49) SMN1; SMN2NPC1MAPK1RAB9AALDH1A1

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 SMN1; SMN2 1117/4885NPC1 41/4885MAPK1 1828/4885

“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.