SCHEMBL5445339

SCHEMBL5445339

O=c1c2sccc2[nH]c(=S)n1-c1ccc(Cl)cc1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.55
TSHR P16473 1/20 0.55
ALDH1A1 P00352 4/20 0.51
MAPT P10636 3/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.49
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
PDE7A Q13946 1/20 0.42
PDE7B Q9NP56 1/20 0.42
PDPK1 O15530 1/20 0.42
RECQL P46063 1/20 0.42
QPCT Q16769 1/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40

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
SCHEMBL5433477 0.85 HTT (0.74) HTTTSHRALDH1A1MAPTLMNA
SCHEMBL299659 0.85 ALDH1A1 (0.60) HTTTSHRALDH1A1MAPTLMNA
SCHEMBL5434431 0.83 HTT (0.46) HTTTSHRALDH1A1MAPTLMNA
SCHEMBL5433520 0.77 MAPT (0.50) HTTALDH1A1MAPTLMNAPOLB
SCHEMBL5433382 0.75 MAPT (0.45) ALDH1A1MAPTPOLBCA12CA1
SCHEMBL1993342 0.74 QPCT (0.60) ALDH1A1MAPTLMNAPOLBCA12
SCHEMBL6283505 0.74 PDE7A (0.77) HTTALDH1A1MAPTCA12CA1
SCHEMBL291107 0.73 PDE7A (0.50) HTTTSHRALDH1A1LMNAPDE7A
SCHEMBL6299913 0.72 ALDH1A1 (0.55) HTTTSHRALDH1A1MAPTLMNA
SCHEMBL5481157 0.69 MAPT (0.45) ALDH1A1MAPTPOLBCA12CA1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070135454-A1 Bicyclic pyrimidin-4(3h)-ones and analogues and derivatives thereof which modulate the function of the vanilloid-1-receptor(vr1) BAYLISS TRACY 2007-06-14 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-20070135454-A1 Bicyclic pyrimidin-4(3h)-ones and analogues and derivatives thereof which modulate the function of the vanilloid-1-receptor(vr1) TRPV1, TRPV2, TRPV4 HTT 4183/4885TSHR 1697/4885ALDH1A1 825/4885

“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.