SCHEMBL5124994

SCHEMBL5124994

COc1cccc(C2=NOC3(CCN(C(=S)NC4CCCCC4)CC3)C2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
TSHR P16473 3/20 0.51
HPGD P15428 2/20 0.51
MAPK10 P53779 1/20 0.51
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
LMNA P02545 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
TP53 P04637 1/20 0.44
GAA P10253 1/20 0.43
MAPT P10636 2/20 0.43
HTT P42858 2/20 0.43
PKM P14618 1/20 0.43
MAOB P27338 1/20 0.42
NFKB1 P19838 1/20 0.42
CASP3 P42574 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42

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
SCHEMBL5123554 1.00 ALDH1A1 (0.51) ALDH1A1TSHRHPGDMAPK10NPC1
SCHEMBL5130690 0.89 LMNA (0.57) ALDH1A1TSHRHPGDMAPK10NPC1
SCHEMBL5012835 0.88 ALDH1A1 (0.52) ALDH1A1TSHRHPGDMAPK10NPC1
SCHEMBL5015742 0.88 ALDH1A1 (0.52) ALDH1A1TSHRHPGDMAPK10NPC1
SCHEMBL5128794 0.86 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1LMNASMN1; SMN2
SCHEMBL5125997 0.86 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1LMNASMN1; SMN2
SCHEMBL5012858 0.84 ALDH1A1 (0.55) ALDH1A1TSHRHPGDMAPK10NPC1
SCHEMBL5117471 0.83 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1LMNASMN1; SMN2
SCHEMBL5126072 0.82 KDM4E (0.43) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL5126544 0.82 KDM4E (0.43) ALDH1A1NPC1RAB9AKMT2AMEN1

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 ALDH1A1 511/4885TSHR 3033/4885HPGD 1142/4885

“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.