SCHEMBL5128901

SCHEMBL5128901

COc1cccc(NC(=S)N2CCC3(CC2)CC(c2ccc(Cl)cc2)=NO3)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.48
ALDH1A1 P00352 7/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 8/20 0.47
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
NPY2R P49146 1/20 0.46
ALOX12 P18054 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
POLB P06746 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44

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
SCHEMBL5130429 0.92 RAB9A (0.52) HTTALDH1A1LMNAMAPTMEN1
SCHEMBL5124768 0.92 MAPT (0.53) HTTALDH1A1LMNAMAPTMEN1
SCHEMBL5117471 0.92 ALDH1A1 (0.51) HTTALDH1A1LMNAMAPTMEN1
SCHEMBL5115865 0.89 SMN1; SMN2 (0.56) HTTALDH1A1LMNAMAPTMEN1
SCHEMBL5129879 0.89 NPY2R (0.49) HTTALDH1A1LMNAMAPTMEN1
SCHEMBL5015801 0.88 TDP1 (0.45) HTTMAPTMEN1KMT2ATDP1
SCHEMBL5119866 0.87 MEN1 (0.54) HTTALDH1A1LMNAMAPTMEN1
SCHEMBL5123834 0.85 NPSR1 (0.47) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL16175479 0.84 TDP1 (0.48) HTTMAPTMEN1KMT2ATDP1
SCHEMBL5117584 0.84 MEN1 (0.53) HTTALDH1A1LMNAMAPTMEN1

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 HTT 50/4885ALDH1A1 511/4885LMNA 875/4885

“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.