SCHEMBL21165417

SCHEMBL21165417

CNS(=O)(=O)c1ccc(CNCc2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.62
CA1 P00915 4/20 0.62
KDM1A O60341 1/20 0.57
MAOA P21397 1/20 0.57
CA12 O43570 5/20 0.56
CA9 Q16790 4/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
ATM Q13315 1/20 0.56
KEAP1 Q14145 1/20 0.55
NR3C2 P08235 1/20 0.53
ALDH1A1 P00352 4/20 0.51
CA4 P22748 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
GAA P10253 1/20 0.50
CA7 P43166 2/20 0.48
CA14 Q9ULX7 2/20 0.48
CA3 P07451 1/20 0.48
CA6 P23280 1/20 0.48

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
SCHEMBL12793673 0.86 KEAP1 (0.76) CA2CA1CA12CA9L3MBTL1
SCHEMBL1255246 0.81 SMN1; SMN2 (0.53) CA2CA1KDM1AMAOACA12
SCHEMBL21165326 0.81 CA2 (0.66) CA2CA1CA12CA9L3MBTL1
SCHEMBL15699779 0.81 SMN1; SMN2 (0.57) CA2CA1KDM1AMAOACA12
SCHEMBL3929043 0.79 NAMPT (0.48) CA2CA1KDM1AMAOACA12
SCHEMBL568013 0.79 SMN1; SMN2 (0.50) CA2CA1KDM1AMAOACA12
SCHEMBL13973174 0.78 KEAP1 (0.69) CA2CA1CA12CA9L3MBTL1
SCHEMBL18580 0.78 NR3C2 (0.64) CA2CA1CA12CA9L3MBTL1
SCHEMBL1751928 0.78 SMN1; SMN2 (0.53) CA2CA1KDM1AMAOACA12
SCHEMBL1255365 0.78 CA9 (0.57) CA2CA1KDM1AMAOACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3288948-B1 FUSED TRICYCLIC PYRAZOLE DERIVATIVES USEFUL FOR MODULATING FARNESOID X RECEPTORS NOVARTIS AG (CH) 2019-11-20 EP disclosed
US-10351576-B2 Fused tricyclic pyrazole derivatives useful for farnesoid X receptors NOVARTIS AG (CH) 2019-07-16 US 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-10351576-B2 Fused tricyclic pyrazole derivatives useful for farnesoid X receptors NR1H4, FXR1, GPBAR1 CA2 2778/4885CA1 2880/4885KDM1A 4785/4885

“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.