SCHEMBL5425847

SCHEMBL5425847

O=c1c2ccsc2nc(SCc2cccc(F)c2)n1-c1ccc(Cl)cc1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 13/20 0.65
ALDH1A2 O94788 12/20 0.65
ALDH1A1 P00352 14/20 0.55
TP53 P04637 3/20 0.54
LMNA P02545 2/20 0.54
MAPT P10636 1/20 0.52
POLB P06746 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
PLA2G1B P04054 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ATG4B Q9Y4P1 1/20 0.50

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
SCHEMBL5434543 0.84 LMNA (0.63) ALDH1A3ALDH1A2ALDH1A1TP53LMNA
SCHEMBL5429559 0.83 ALDH1A3 (0.59) ALDH1A3ALDH1A2ALDH1A1TP53LMNA
SCHEMBL5429803 0.82 ALDH1A2 (0.67) ALDH1A3ALDH1A2ALDH1A1TP53LMNA
SCHEMBL5438825 0.80 ALDH1A2 (0.59) ALDH1A3ALDH1A2ALDH1A1TP53LMNA
SCHEMBL19747691 0.79 ALDH1A3 (1.00) ALDH1A3ALDH1A2ALDH1A1
SCHEMBL5437892 0.78 ALDH1A3 (0.60) ALDH1A3ALDH1A2ALDH1A1TP53LMNA
SCHEMBL5434767 0.77 ALDH1A2 (0.60) ALDH1A3ALDH1A2ALDH1A1TP53LMNA
SCHEMBL5432033 0.76 ALDH1A3 (0.59) ALDH1A3ALDH1A2ALDH1A1TP53LMNA
SCHEMBL5437816 0.75 ALDH1A3 (0.68) ALDH1A3ALDH1A2ALDH1A1TP53LMNA
SCHEMBL5431825 0.74 LMNA (0.59) ALDH1A3ALDH1A2ALDH1A1TP53LMNA

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 6 patents. 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 claimed
EP-1687306-A1 BICYCLIC PYRIMIDIN-4-(3H)-ONES AND ANALOGUES AND DERIVATIVES THEREOF WHICH MODULATE THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) MERCK SHARP & DOHME LTD. (GB) 2006-08-09 EP claimed
WO-2005049613-A1 BICYCLIC PYRIMIDIN-4-(3H)-ONES AND ANALOGUES AND DERIVATIVES THEREOF WHICH MODULATE THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) MERCK SHARP & DOHME LIMITED (GB) 2005-06-02 WO claimed
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
EP-1687306-A1 BICYCLIC PYRIMIDIN-4-(3H)-ONES AND ANALOGUES AND DERIVATIVES THEREOF WHICH MODULATE THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) MERCK SHARP & DOHME LTD. (GB) 2006-08-09 EP disclosed
WO-2005049613-A1 BICYCLIC PYRIMIDIN-4-(3H)-ONES AND ANALOGUES AND DERIVATIVES THEREOF WHICH MODULATE THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) MERCK SHARP & DOHME LIMITED (GB) 2005-06-02 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-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 ALDH1A3 1534/4885ALDH1A2 1259/4885ALDH1A1 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.