SCHEMBL5740453

SCHEMBL5740453

CCC1CCc2c(sc3cc(-c4nnn[nH]4)ccc3c2=O)C1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.32
MAPT P10636 3/20 0.32
HPGD P15428 3/20 0.32
GAA P10253 1/20 0.32
TNIK Q9UKE5 1/20 0.32
KDM4E B2RXH2 4/20 0.32
BRD4 O60885 2/20 0.32
RAB9A P51151 2/20 0.32
HTT P42858 3/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
FGFR1 P11362 1/20 0.31
AIP O00170 1/20 0.31
SGTA O43765 1/20 0.31
TOMM70 O94826 1/20 0.31
STIP1 P31948 1/20 0.31

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
SCHEMBL5740950 0.95 BRD4 (0.35) ALDH1A1MAPTHPGDGAATNIK
SCHEMBL6509167 0.82 ALDH1A1 (0.38) ALDH1A1TNIK
SCHEMBL5740793 0.81 KDM4E (0.38) ALDH1A1MAPTHPGDGAATNIK
SCHEMBL5739488 0.80 MAPT (0.38) ALDH1A1MAPTHPGDGAATNIK
SCHEMBL5738978 0.80 TNIK (0.41) ALDH1A1MAPTHPGDGAATNIK
SCHEMBL5739050 0.80 KDM4E (0.39) ALDH1A1MAPTHPGDGAATNIK
SCHEMBL5740571 0.80 RORC (0.35) ALDH1A1MAPTHPGDGAATNIK
SCHEMBL5741212 0.79 TNIK (0.37) ALDH1A1MAPTHPGDGAATNIK
SCHEMBL5741298 0.79 BRD4 (0.39) ALDH1A1MAPTHPGDGAATNIK
SCHEMBL5741091 0.79 BRD4 (0.35) ALDH1A1HPGDGAAKDM4EBRD4

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 ALDH1A1 1088/4885MAPT 29/4885HPGD 171/4885

“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.