SCHEMBL20875170

SCHEMBL20875170

Cn1c([S+]([O-])Cc2c(F)c(F)c(F)c(F)c2F)nc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.41
POLB P06746 2/20 0.40
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.40
ATM Q13315 1/20 0.40
RAB9A P51151 6/20 0.39
NPC1 O15118 5/20 0.39
GRM2 Q14416 2/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 1/20 0.38
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL19385845 1.00 SMN1; SMN2 (0.41) SMN1; SMN2POLBTP53GAAATM
SCHEMBL19385936 0.82 RAB9A (0.47) SMN1; SMN2GAARAB9ANPC1GRM2
SCHEMBL19385938 0.82 RAB9A (0.47) SMN1; SMN2GAARAB9ANPC1GRM2
SCHEMBL19385853 0.81 SMN1; SMN2 (0.45) SMN1; SMN2GAAATMRAB9ANPC1
SCHEMBL19385852 0.81 SMN1; SMN2 (0.45) SMN1; SMN2GAAATMRAB9ANPC1
SCHEMBL19385877 0.78 NPC1 (0.53) SMN1; SMN2TP53GAARAB9ANPC1
SCHEMBL19385875 0.78 NPC1 (0.53) SMN1; SMN2TP53GAARAB9ANPC1
SCHEMBL6872965 0.77 SMN1; SMN2 (0.44) SMN1; SMN2GAAATMRAB9ANPC1
SCHEMBL19385908 0.77 SMN1; SMN2 (0.54) SMN1; SMN2POLBTP53GAARAB9A
SCHEMBL8383772 0.77 MAPT (0.43) SMN1; SMN2POLBTP53GAAATM

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
US-10710061-B2 Ion pair catalysis of tungstate and molybdate NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2020-07-14 US disclosed
US-20190105646-A1 ION PAIR CATALYSIS OF TUNGSTATE AND MOLYBDATE NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2019-04-11 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 (2 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-10710061-B2 Ion pair catalysis of tungstate and molybdate PRDX3, PRDX4, PRDX2 SMN1; SMN2 4353/4885POLB 275/4885TP53 4548/4885
US-20190105646-A1 ION PAIR CATALYSIS OF TUNGSTATE AND MOLYBDATE PRDX3, PRDX4, PRDX6 SMN1; SMN2 4370/4885POLB 278/4885TP53 4695/4885

“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.