SCHEMBL5129765

SCHEMBL5129765

Cc1ccc(C2=NOC3(CCN(C(=S)Nc4cccc(C(F)(F)F)c4)CC3)C2)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.53
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
POLB P06746 1/20 0.49
XBP1 P17861 1/20 0.49
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PHGDH O43175 7/20 0.45
RAB9A P51151 1/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 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) LMNAKMT2AMEN1L3MBTL1POLB
SCHEMBL5125662 0.92 LMNA (0.53) LMNAKMT2AMEN1L3MBTL1POLB
SCHEMBL5125810 0.92 MEN1 (0.55) LMNAKMT2AMEN1L3MBTL1POLB
SCHEMBL5117584 0.91 MEN1 (0.53) LMNAKMT2AMEN1L3MBTL1POLB
SCHEMBL5124367 0.89 EPHX2 (0.47) LMNAKMT2AMEN1MAPTGAA
SCHEMBL16175687 0.87 L3MBTL1 (0.44) LMNAKMT2AMEN1L3MBTL1MAPT
SCHEMBL5128862 0.87 LMNA (0.51) LMNAKMT2AMEN1L3MBTL1POLB
SCHEMBL5121575 0.85 MAPT (0.47) LMNAKMT2AMEN1MAPTRAB9A
SCHEMBL5129879 0.85 NPY2R (0.49) LMNAKMT2AMEN1L3MBTL1POLB
SCHEMBL5124924 0.85 NPY2R (0.50) LMNAKMT2AMEN1L3MBTL1POLB

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 LMNA 875/4885KMT2A 4006/4885MEN1 1834/4885

“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.