SCHEMBL5117584

SCHEMBL5117584

FC(F)(F)c1cccc(NC(=S)N2CCC3(CC2)CC(c2ccc(Cl)cc2)=NO3)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
LMNA P02545 4/20 0.51
POLB P06746 2/20 0.49
XBP1 P17861 2/20 0.49
MAPT P10636 5/20 0.47
KDM4E B2RXH2 2/20 0.46
NPSR1 Q6W5P4 2/20 0.45
GAA P10253 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HTT P42858 1/20 0.45
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PHGDH O43175 2/20 0.42
CYP2C9 P11712 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
SCHEMBL5130556 0.94 MEN1 (0.55) MEN1KMT2AL3MBTL1LMNAPOLB
SCHEMBL5125810 0.92 MEN1 (0.55) MEN1KMT2AL3MBTL1LMNAPOLB
SCHEMBL5129765 0.91 LMNA (0.53) MEN1KMT2AL3MBTL1LMNAPOLB
SCHEMBL5125662 0.90 LMNA (0.53) MEN1KMT2AL3MBTL1LMNAPOLB
SCHEMBL5130357 0.89 TRPV1 (0.49) MEN1KMT2ALMNAMAPTGAA
SCHEMBL5015849 0.87 MAPT (0.43) MEN1KMT2AL3MBTL1LMNAPOLB
SCHEMBL5123834 0.85 NPSR1 (0.47) MEN1KMT2ALMNAMAPTNPSR1
SCHEMBL5128862 0.85 LMNA (0.51) MEN1KMT2AL3MBTL1LMNAPOLB
SCHEMBL5124924 0.85 NPY2R (0.50) MEN1KMT2AL3MBTL1LMNAPOLB
SCHEMBL5128901 0.84 HTT (0.48) MEN1KMT2ALMNAPOLBMAPT

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-8772307-B2 Substituted spiro compounds and their use for producing pain-relief medicaments GRUENENTHAL GMBH (DE) 2014-07-08 US claimed
US-20080269271-A1 Analgesics; antidepressants; neurodegenerative diseases; antiepileptic agents; cognition activators; antitussive agents; incotinence; irritable bowel syndrome; stroke; vision defects; antiinflammatory agents; skin disorders; diarrhea; eating disorders GRUENENTHAL GMBH (DE) 2008-10-30 US claimed
US-20080269271-A1 Analgesics; antidepressants; neurodegenerative diseases; antiepileptic agents; cognition activators; antitussive agents; incotinence; irritable bowel syndrome; stroke; vision defects; antiinflammatory agents; skin disorders; diarrhea; eating disorders GRUENENTHAL GMBH (DE) 2008-10-30 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-20080269271-A1 Analgesics; antidepressants; neurodegenerative diseases; antiepileptic agents; cognition activators; antitussive agents; incotinence; irritable bowel syndrome; stroke; vision defects; antiinflammatory agents; skin disorders; diarrhea; eating disorders INA, SCN1A, SI MEN1 1834/4885KMT2A 4006/4885L3MBTL1 4238/4885

“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.