SCHEMBL5740571

SCHEMBL5740571

CCC1CCc2c(sc3cc(-c4nnnn4C)ccc3c2=O)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.35
ALDH1A1 P00352 7/20 0.34
HPGD P15428 4/20 0.34
MAPT P10636 3/20 0.34
GAA P10253 1/20 0.34
HTR1A P08908 1/20 0.33
HTR1B P28222 1/20 0.33
KDM4E B2RXH2 4/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
THRB P10828 2/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
XBP1 P17861 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TNIK Q9UKE5 1/20 0.32
CCR3 P51677 3/20 0.31
WNT1 P04628 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
SCHEMBL5741017 0.83 DRD2 (0.34) RORCALDH1A1HPGDMAPTGAA
SCHEMBL5739488 0.81 MAPT (0.38) ALDH1A1HPGDMAPTGAAKDM4E
SCHEMBL5740793 0.80 KDM4E (0.38) RORCALDH1A1HPGDMAPTGAA
SCHEMBL5740453 0.80 ALDH1A1 (0.32) ALDH1A1HPGDMAPTGAAKDM4E
SCHEMBL5738978 0.79 TNIK (0.41) RORCALDH1A1HPGDMAPTGAA
SCHEMBL5741786 0.79 PIK3CD (0.37) ALDH1A1HPGDMAPTGAAKDM4E
SCHEMBL5739368 0.79 MAPT (0.41) ALDH1A1HPGDMAPTGAAKDM4E
SCHEMBL5740778 0.79 MAPT (0.39) ALDH1A1HPGDMAPTGAAKDM4E
SCHEMBL5739050 0.79 KDM4E (0.39) RORCALDH1A1HPGDMAPTGAA
SCHEMBL5741298 0.79 BRD4 (0.39) ALDH1A1HPGDMAPTGAAKDM4E

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 RORC 774/4885ALDH1A1 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.