SCHEMBL5741309

SCHEMBL5741309

O=c1[nH]c(-c2ccc3c(=O)c4c(sc3c2)CCCCCC4)no1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.39
BRD4 O60885 3/20 0.37
CDKN1A P38936 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL5741345 0.82 RARB (0.40) XDHALDH1A1
SCHEMBL6509167 0.79 ALDH1A1 (0.38) XDHALDH1A1
SCHEMBL5741091 0.78 BRD4 (0.35) BRD4CDKN1AALDH1A1
SCHEMBL5741718 0.71 SMN1; SMN2 (0.44) ALDH1A1
SCHEMBL5741304 0.71 HSD17B10 (0.44) BRD4ALDH1A1
SCHEMBL6659146 0.70 RNASEL (0.48) BRD4
SCHEMBL5738977 0.68 ALDH1A1 (0.38) ALDH1A1
SCHEMBL6689643 0.66 ABCC1 (0.41) ALDH1A1
SCHEMBL29292345 0.66 ALDH1A1 (0.44) ALDH1A1
SCHEMBL5740682 0.65 PTGS2 (0.38) ALDH1A1

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 2 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

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 XDH 1226/4885BRD4 2633/4885CDKN1A 3892/4885

“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.