SCHEMBL5740417

SCHEMBL5740417

CCC1CCc2c(sc3cc(-c4cccc(C=O)c4)ccc3c2=O)C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 1/20 0.34
MAPT P10636 4/20 0.33
KDM4E B2RXH2 4/20 0.33
RAB9A P51151 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
HTT P42858 1/20 0.33
ALDH1A1 P00352 4/20 0.33
HPGD P15428 3/20 0.33
GAA P10253 1/20 0.33
TRIM24 O15164 1/20 0.32
TRIM33 Q9UPN9 1/20 0.32
KIF11 P52732 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL5741596 0.91 MAPT (0.34) TNIKMAPTKDM4ERAB9AMEN1
SCHEMBL5738978 0.87 TNIK (0.41) TNIKMAPTKDM4ERAB9AMEN1
SCHEMBL5740626 0.86 TNIK (0.37) TNIKMAPTKDM4ERAB9AMEN1
SCHEMBL5742461 0.84 LIMK1 (0.39) TNIKMAPTKDM4ERAB9ASMN1; SMN2
SCHEMBL5739789 0.83 PTPN5 (0.36) TNIKMAPTKDM4ERAB9AMEN1
SCHEMBL5739488 0.83 MAPT (0.38) TNIKMAPTKDM4ERAB9AMEN1
SCHEMBL5741298 0.82 BRD4 (0.39) TNIKMAPTKDM4ERAB9AMEN1
SCHEMBL5741212 0.82 TNIK (0.37) TNIKMAPTKDM4ERAB9AMEN1
SCHEMBL5740604 0.82 PRF1 (0.36) TNIKMAPTKDM4ERAB9AMEN1
SCHEMBL5740770 0.82 ALDH1A1 (0.45) MAPTKDM4ERAB9ASMN1; SMN2HTT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1406891-B1 THIOCHROMENONES USED TO COMBAT PAINFUL CONDITIONS AND NEURODEGENERATIVE DISEASES BAYER HEALTHCARE AG (DE) 2006-03-22 EP disclosed
US-20050009820-A1 Thiochromenones used to combat painful conditions and neurodegenerative diseases BAYER HEALTHCARE AG (DE) 2005-01-13 US disclosed
EP-1406891-A1 THIOCHROMENONES USED TO COMBAT PAINFUL CONDITIONS AND NEURODEGENERATIVE DISEASES Bayer HealthCare AG (DE) 2004-04-14 EP disclosed
WO-2003053955-A1 THIOCHROMENONES USED TO COMBAT PAINFUL CONDITIONS AND NEURODEGENERATIVE DISEASES BAYER HEALTHCARE AG (DE) 2003-07-03 WO 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-20050009820-A1 Thiochromenones used to combat painful conditions and neurodegenerative diseases HTT, HMOX1, SNCA TNIK 1874/4885MAPT 29/4885KDM4E 2960/4885

“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.