SCHEMBL5118862

SCHEMBL5118862

COc1ccc(CNC(=O)C2=NOC3(CCN(C(=S)Nc4ccc(F)cc4)CC3)C2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
HTT P42858 2/20 0.47
MAPT P10636 2/20 0.47
GAA P10253 2/20 0.45
NAMPT P43490 2/20 0.44
MAPK1 P28482 2/20 0.43
GLA P06280 1/20 0.43
PDGFRB P09619 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PDGFRA P16234 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL5114017 0.91 PDGFRB (0.44) SMN1; SMN2MAPTGAANAMPTMAPK1
SCHEMBL5120134 0.88 SMN1; SMN2 (0.47) SMN1; SMN2HTTMAPTGAANAMPT
SCHEMBL5119733 0.88 KMT2A (0.46) SMN1; SMN2GAANAMPTPDGFRBKMT2A
SCHEMBL5120149 0.87 ALDH1A1 (0.42) SMN1; SMN2HTTMAPTGAANAMPT
SCHEMBL1457630 0.87 SMN1; SMN2 (0.46) SMN1; SMN2HTTMAPTGAANAMPT
SCHEMBL5127389 0.87 PDGFRB (0.44) SMN1; SMN2MAPTGAANAMPTPDGFRB
SCHEMBL5115065 0.86 MEN1 (0.43) SMN1; SMN2HTTMAPTGAANAMPT
SCHEMBL5125610 0.86 ALDH1A1 (0.47) SMN1; SMN2HTTMAPTNAMPTMAPK1
SCHEMBL5111409 0.85 POLB (0.49) SMN1; SMN2MAPTGAAKMT2APOLB
SCHEMBL5121677 0.84 LMNA (0.41) SMN1; SMN2HTTMAPTGAANAMPT

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 SMN1; SMN2 4677/4885HTT 1428/4885MAPT 3811/4885

“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.