SCHEMBL5740790

SCHEMBL5740790

CCC1CCc2c(sc3cc(-c4ccccc4C#N)ccc3c2=O)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 1/20 0.36
ALDH1A1 P00352 6/20 0.36
HPGD P15428 5/20 0.36
MAPT P10636 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
TNIK Q9UKE5 1/20 0.36
AGTR1 P30556 1/20 0.35
CYP1A2 P05177 4/20 0.34
CYP3A4 P08684 4/20 0.34
CLK4 Q9HAZ1 2/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
KDM4E B2RXH2 3/20 0.33
ABL1 P00519 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4D Q08499 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL5739724 0.85 LIMK1 (0.41) ALDH1A1HPGDMAPTTNIKABL1
SCHEMBL5739314 0.85 PTPN5 (0.38) PTPN5ALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL5738978 0.84 TNIK (0.41) PTPN5ALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL5739789 0.84 PTPN5 (0.36) PTPN5ALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL5741112 0.82 PTPN5 (0.40) PTPN5ALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL5739488 0.80 MAPT (0.38) ALDH1A1HPGDMAPTSMN1; SMN2TNIK
SCHEMBL5739050 0.80 KDM4E (0.39) ALDH1A1HPGDMAPTSMN1; SMN2TNIK
SCHEMBL5741212 0.79 TNIK (0.37) ALDH1A1HPGDMAPTSMN1; SMN2TNIK
SCHEMBL5741298 0.79 BRD4 (0.39) PTPN5ALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL5740688 0.79 NPC1 (0.39) ALDH1A1TNIKKDM4ENPC1HTT

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 PTPN5 2069/4885ALDH1A1 1088/4885HPGD 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.