SCHEMBL20489652

SCHEMBL20489652

CSc1nc(NC(=O)C(F)(F)F)c(C(C)=O)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.39
MAPT P10636 6/20 0.35
NPC1 O15118 5/20 0.35
RAB9A P51151 5/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
HTT P42858 2/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 2/20 0.35
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
PPARA Q07869 1/20 0.31
TP53 P04637 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HCRTR1 O43613 1/20 0.31
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TSHR P16473 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL2499122 0.86 TRPM8 (0.46) TRPM8MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL21206864 0.85 TRPM8 (0.42) TRPM8MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL21206872 0.81 TRPM8 (0.40) TRPM8MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL12428741 0.81 TRPM8 (0.61) TRPM8MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL20489608 0.78 MAPT (0.33) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL20489644 0.77 TRPM8 (0.33) TRPM8MAPTNPC1RAB9AKMT2A
SCHEMBL12630128 0.74 ALDH1A1 (0.39) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL20489646 0.74 HPGD (0.42) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL21206837 0.74 NPC1 (0.51) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL21206595 0.70 POLB (0.39) MAPTNPC1RAB9ASMN1; SMN2HTT

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
EP-3372601-B1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORP (JP) 2022-09-21 EP disclosed
US-10793582-B2 Bicyclic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2020-10-06 US disclosed
US-10793582-B2 Bicyclic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2020-10-06 US disclosed
US-20190233438-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-08-01 US disclosed
US-20190233438-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-08-01 US disclosed
EP-3372601-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2018-09-12 EP 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-20190233438-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND KAT2A, KAT7, KAT5 TRPM8 2795/4885MAPT 2348/4885NPC1 730/4885
US-10793582-B2 Bicyclic heterocyclic compound KAT2A, KAT7, KAT5 TRPM8 2820/4885MAPT 2057/4885NPC1 707/4885

“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.