SCHEMBL5111528

SCHEMBL5111528

COc1ccc(CNC(=O)C2=NOC3(CCN(C(=S)Nc4ccccc4I)CC3)C2)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
NAMPT P43490 1/20 0.41
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NOD2 Q9HC29 1/20 0.40
ALDH1A1 P00352 3/20 0.39
TP53 P04637 1/20 0.39
ACHE P22303 1/20 0.39
BACE1 P56817 1/20 0.39
GPR119 Q8TDV5 1/20 0.38
MAPT P10636 3/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
MAPK1 P28482 1/20 0.38
HDAC1 Q13547 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
SCHEMBL5119733 0.93 KMT2A (0.46) GAANAMPTPDGFRBPDGFRAL3MBTL1
SCHEMBL5119611 0.91 ALDH1A1 (0.42) GAANAMPTPDGFRBPDGFRAL3MBTL1
SCHEMBL5120149 0.91 ALDH1A1 (0.42) GAANAMPTPDGFRBPDGFRAL3MBTL1
SCHEMBL5125515 0.90 L3MBTL1 (0.43) GAANAMPTPDGFRBPDGFRAL3MBTL1
SCHEMBL5120842 0.90 ALDH1A1 (0.43) GAANAMPTPDGFRBPDGFRAL3MBTL1
SCHEMBL5121677 0.89 LMNA (0.41) GAANAMPTPDGFRBPDGFRAL3MBTL1
SCHEMBL5125610 0.88 ALDH1A1 (0.47) NAMPTPDGFRBPDGFRAL3MBTL1SMN1; SMN2
SCHEMBL1457159 0.88 GAA (0.41) GAANAMPTPDGFRBPDGFRASMN1; SMN2
SCHEMBL5119573 0.85 KMT2A (0.39) GAASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL5126616 0.85 ALDH1A1 (0.54) GAASMN1; SMN2MEN1KMT2AALDH1A1

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 GAA 1971/4885NAMPT 319/4885PDGFRB 1195/4885

“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.