SCHEMBL1119953

SCHEMBL1119953

COc1cc(N=C=S)cc(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 6/20 0.35
TUBB1 Q9H4B7 2/20 0.34
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
HTR3A P46098 1/20 0.33
HTR3D Q70Z44 1/20 0.33
HTR3C Q8WXA8 1/20 0.33
MIF P14174 1/20 0.32
KDM1A O60341 1/20 0.31
APLNR P35414 1/20 0.30

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
SCHEMBL2241711 0.80 MIF (0.42) MIF
SCHEMBL602013 0.79 NAAA (0.40) NAAAHTR3EHTR3BHTR3AHTR3D
SCHEMBL25268577 0.79 NAAA (0.46) NAAATUBB1HTR3EHTR3BHTR3A
SCHEMBL457065 0.77 ACHE (0.46) TUBB1
SCHEMBL12762508 0.76 TUBB1 (0.37) TUBB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL23760097 0.76 GAA (0.46) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL10086105 0.72 TUBB1 (0.42) TUBB1KDM1A
SCHEMBL76835 0.72 HTR3E (0.53) TUBB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL6179404 0.69 P2RY6 (0.38) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL11551368 0.69 NAAA (0.38) NAAATUBB1APLNR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2280945-B1 TRISUBSTITUTED PYRAZOLES AS ACETYLCHOLINE RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-09-03 EP disclosed
US-8779158-B2 Trisubstituted pyrazoles as acetylcholine receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2014-07-15 US disclosed
US-8779158-B2 Trisubstituted pyrazoles as acetylcholine receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2014-07-15 US disclosed
US-8779158-B2 Trisubstituted pyrazoles as acetylcholine receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2014-07-15 US disclosed
US-20110065683-A1 TRISUBSTITUTED PYRAZOLES AS ACETYLCHOLINE RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-03-17 US disclosed
EP-2280945-A1 TRISUBSTITUTED PYRAZOLES AS ACETYLCHOLINE RECEPTOR MODULATORS Janssen Pharmaceutica, N.V. (BE) 2011-02-09 EP disclosed
WO-2009135944-A1 TRISUBSTITUTED PYRAZOLES AS ACETYLCHOLINE RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2009-11-12 WO disclosed
WO-2009135944-A1 TRISUBSTITUTED PYRAZOLES AS ACETYLCHOLINE RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2009-11-12 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-20110065683-A1 TRISUBSTITUTED PYRAZOLES AS ACETYLCHOLINE RECEPTOR MODULATORS CHRNA1, CHRM3, CHRNA5 NAAA 1272/4885TUBB1 2142/4885HTR3E 362/4885

“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.