SCHEMBL5432243

SCHEMBL5432243

O=c1c2ncsc2nc(SCc2csc(C(F)(F)F)n2)n1-c1ccc(Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 8/20 0.38
▸ LMNA P02545 2/20 0.37
▸ TGM2 P21980 1/20 0.37
▸ TP53 P04637 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ ALDH1A2 O94788 1/20 0.36
▸ ALDH1A3 P47895 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPK10 P53779 1/20 0.35
▸ HTR6 P50406 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL5440467 0.83 PTGS2 (0.45) PTGS2TP53ALDH1A1HTR6KMT2A
SCHEMBL5436198 0.83 ALDH1A2 (0.40) PTGS2LMNATP53MAPTHTT
SCHEMBL5429559 0.76 ALDH1A3 (0.59) LMNATP53MAPTALDH1A2ALDH1A3
SCHEMBL5432477 0.76 MAOA (0.46) PTGS2LMNATGM2TP53MAPT
SCHEMBL5426973 0.74 MAPT (0.52) LMNATGM2TP53MAPTALDH1A1
SCHEMBL5428540 0.73 MEN1 (0.38) LMNATGM2TP53ALDH1A2ALDH1A3
SCHEMBL5436136 0.70 ALDH1A1 (0.48) PTGS2ALDH1A2ALDH1A3ALDH1A1MAPK10
SCHEMBL5435498 0.70 ALDH1A2 (0.40) PTGS2LMNATP53MAPTHTT
SCHEMBL5434276 0.69 ALDH1A1 (0.47) PTGS2ALDH1A2ALDH1A3ALDH1A1MAPK10
SCHEMBL4510077 0.69 PDE10A (0.34) LMNA

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 PTGS2 531/4885LMNA 4257/4885TGM2 4444/4885

“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.

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