SCHEMBL5740950

SCHEMBL5740950

CCC1CCc2c(sc3cc(-c4cccc(-c5nnn[nH]5)c4)ccc3c2=O)C1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.35
TNIK Q9UKE5 1/20 0.32
KDM4E B2RXH2 2/20 0.31
RAB9A P51151 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL5740453 0.95 ALDH1A1 (0.32) BRD4TNIKKDM4ERAB9AALDH1A1
SCHEMBL5738978 0.83 TNIK (0.41) TNIKKDM4ERAB9AALDH1A1MAPT
SCHEMBL5740626 0.81 TNIK (0.37) TNIKKDM4ERAB9AALDH1A1MAPT
SCHEMBL5740770 0.79 ALDH1A1 (0.45) KDM4ERAB9AALDH1A1MAPTHTT
SCHEMBL5740417 0.79 TNIK (0.34) TNIKKDM4ERAB9AALDH1A1MAPT
SCHEMBL5742461 0.79 LIMK1 (0.39) BRD4TNIKKDM4ERAB9AALDH1A1
SCHEMBL5740793 0.79 KDM4E (0.38) TNIKKDM4ERAB9AALDH1A1MAPT
SCHEMBL5739789 0.79 PTPN5 (0.36) BRD4TNIKKDM4ERAB9AALDH1A1
SCHEMBL5739488 0.79 MAPT (0.38) TNIKKDM4ERAB9AALDH1A1MAPT
SCHEMBL5739050 0.78 KDM4E (0.39) TNIKKDM4ERAB9AALDH1A1MAPT

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 BRD4 2633/4885TNIK 1874/4885KDM4E 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.