SCHEMBL5120149

SCHEMBL5120149

COc1ccc(CNC(=O)C2=NOC3(CCN(C(=S)Nc4ccccc4F)CC3)C2)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
HTT P42858 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPK1 P28482 1/20 0.42
GAA P10253 1/20 0.42
GPR119 Q8TDV5 1/20 0.42
KDM4E B2RXH2 1/20 0.42
NAMPT P43490 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
NOD2 Q9HC29 1/20 0.40
TP53 P04637 1/20 0.39

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
SCHEMBL5119733 0.93 KMT2A (0.46) ALDH1A1L3MBTL1GAAKDM4ENAMPT
SCHEMBL5121677 0.91 LMNA (0.41) ALDH1A1HTTL3MBTL1GAAGPR119
SCHEMBL5111528 0.91 GAA (0.42) ALDH1A1HTTL3MBTL1MAPK1GAA
SCHEMBL5119611 0.91 ALDH1A1 (0.42) ALDH1A1L3MBTL1MAPK1GAANAMPT
SCHEMBL5125515 0.90 L3MBTL1 (0.43) ALDH1A1HTTL3MBTL1GAAKDM4E
SCHEMBL5120842 0.90 ALDH1A1 (0.43) ALDH1A1L3MBTL1GAAKDM4ENAMPT
SCHEMBL5125610 0.88 ALDH1A1 (0.47) ALDH1A1HTTL3MBTL1MAPK1KDM4E
SCHEMBL1457238 0.88 ALDH1A1 (0.41) ALDH1A1HTTL3MBTL1MAPK1GAA
SCHEMBL5118862 0.87 SMN1; SMN2 (0.47) ALDH1A1HTTMAPK1GAANAMPT
SCHEMBL5126616 0.85 ALDH1A1 (0.54) ALDH1A1HTTMAPK1GAAKDM4E

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-20080214807-A1 Substituted Spiro Compounds and their Use for Producing Drugs GRUENENTHAL GMBH (DE) 2008-09-04 US claimed
US-20080214807-A1 Substituted Spiro Compounds and their Use for Producing Drugs GRUENENTHAL GMBH (DE) 2008-09-04 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-20080214807-A1 Substituted Spiro Compounds and their Use for Producing Drugs REN, PKD1, NR3C2 ALDH1A1 281/4885HTT 1428/4885L3MBTL1 4872/4885

“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.