SCHEMBL5434767

SCHEMBL5434767

O=c1c2ncccc2nc(SCc2cccc(F)c2)n1-c1ccc(Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A2 O94788 7/20 0.60
ALDH1A3 P47895 7/20 0.60
ALDH1A1 P00352 8/20 0.51
TP53 P04637 5/20 0.50
LMNA P02545 3/20 0.50
PLA2G1B P04054 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ATG4B Q9Y4P1 1/20 0.50
MAPT P10636 3/20 0.48
GAA P10253 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
POLB P06746 1/20 0.47

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
SCHEMBL5433481 0.91 MAPT (0.50) ALDH1A2ALDH1A3TP53LMNASMN1; SMN2
SCHEMBL5426673 0.89 TP53 (0.54) ALDH1A2ALDH1A3TP53LMNASMN1; SMN2
SCHEMBL5438687 0.89 ALDH1A1 (0.49) ALDH1A2ALDH1A3ALDH1A1TP53LMNA
SCHEMBL5433462 0.88 TP53 (0.49) ALDH1A2ALDH1A3TP53LMNASMN1; SMN2
SCHEMBL5428727 0.88 ALDH1A1 (0.48) ALDH1A2ALDH1A3ALDH1A1TP53LMNA
SCHEMBL5436106 0.86 TP53 (0.51) TP53LMNASMN1; SMN2MAPT
SCHEMBL5432200 0.82 MAOA (0.48) ALDH1A1TP53MAPTPOLB
SCHEMBL5432449 0.82 NPC1 (0.52) ALDH1A1TP53LMNASMN1; SMN2MAPT
SCHEMBL5429559 0.82 ALDH1A3 (0.59) ALDH1A2ALDH1A3ALDH1A1TP53LMNA
SCHEMBL5429803 0.82 ALDH1A2 (0.67) ALDH1A2ALDH1A3ALDH1A1TP53LMNA

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 ALDH1A2 1259/4885ALDH1A3 1534/4885ALDH1A1 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.