SCHEMBL5426973

SCHEMBL5426973

O=C(CSc1nc2scnc2c(=O)n1-c1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.52
▸ TP53 P04637 3/20 0.52
▸ TGM2 P21980 1/20 0.48
▸ ALDH1A1 P00352 5/20 0.45
▸ KMT2A Q03164 5/20 0.45
▸ RAB9A P51151 4/20 0.45
▸ CYP1A2 P05177 3/20 0.45
▸ CYP3A4 P08684 3/20 0.45
▸ CYP2C9 P11712 3/20 0.45
▸ CYP2C19 P33261 3/20 0.45
▸ NPC1 O15118 3/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ TSHR P16473 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ LMNA P02545 5/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ IDO1 P14902 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL5428952 0.83 MAPT (0.50) MAPTTP53TGM2ALDH1A1KMT2A
SCHEMBL5432477 0.81 MAOA (0.46) MAPTTP53TGM2KMT2ACYP1A2
SCHEMBL5440327 0.79 MAPT (0.55) MAPTTP53ALDH1A1KMT2ARAB9A
SCHEMBL5434299 0.78 ALDH1A1 (0.52) MAPTTP53ALDH1A1KMT2ARAB9A
SCHEMBL5425979 0.77 TP53 (0.65) MAPTTP53ALDH1A1KMT2ARAB9A
SCHEMBL5479541 0.75 MAPT (0.58) MAPTTP53ALDH1A1KMT2ARAB9A
SCHEMBL5436162 0.75 MAPT (0.60) MAPTTP53ALDH1A1KMT2ARAB9A
SCHEMBL5429576 0.75 MAPT (0.49) MAPTTP53ALDH1A1KMT2ARAB9A
SCHEMBL5429559 0.75 ALDH1A3 (0.59) MAPTTP53ALDH1A1SMN1; SMN2POLB
SCHEMBL5432243 0.74 PTGS2 (0.38) MAPTTP53TGM2ALDH1A1KMT2A

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 MAPT 4636/4885TP53 4137/4885TGM2 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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