SCHEMBL5741017

SCHEMBL5741017

CCC1CCc2c(sc3cc(-c4nnn(C)n4)ccc3c2=O)C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.34
HTR1A P08908 2/20 0.33
DRD4 P21917 2/20 0.33
HTR1B P28222 2/20 0.33
HTR2C P28335 2/20 0.33
DRD3 P35462 2/20 0.33
THRB P10828 1/20 0.33
HRH1 P35367 1/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
RAB9A P51151 2/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
HPGD P15428 2/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
RORC P51449 1/20 0.32
TNIK Q9UKE5 1/20 0.32
NPC1 O15118 2/20 0.31
XIAP P98170 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
SCHEMBL5739050 0.83 KDM4E (0.39) THRBALDH1A1KDM4ERAB9ATSHR
SCHEMBL5740571 0.83 RORC (0.35) HTR1AHTR1BTHRBALDH1A1KDM4E
SCHEMBL5740793 0.80 KDM4E (0.38) ALDH1A1KDM4ERAB9ATSHRHTT
SCHEMBL5738978 0.79 TNIK (0.41) THRBALDH1A1KDM4ERAB9AHTT
SCHEMBL5739488 0.79 MAPT (0.38) THRBALDH1A1KDM4ERAB9ATSHR
SCHEMBL5741298 0.79 BRD4 (0.39) THRBALDH1A1KDM4ERAB9AHTT
SCHEMBL5741212 0.79 TNIK (0.37) THRBALDH1A1KDM4ERAB9ATSHR
SCHEMBL5739274 0.78 MAPT (0.38) THRBALDH1A1KDM4ERAB9ATSHR
SCHEMBL5740453 0.78 ALDH1A1 (0.32) THRBALDH1A1KDM4ERAB9ATSHR
SCHEMBL5741786 0.77 PIK3CD (0.37) THRBALDH1A1KDM4ERAB9ATSHR

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 DRD2 1306/4885HTR1A 362/4885DRD4 1042/4885

“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.