SCHEMBL26795696

SCHEMBL26795696

CC(C)C(=O)c1sc(-c2ncccn2)nc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.42
TRPM8 Q7Z2W7 1/20 0.40
KDM4E B2RXH2 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 4/20 0.37
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 4/20 0.35
HPGD P15428 1/20 0.34
PDE2A O00408 3/20 0.33
P2RY1 P47900 1/20 0.33
LIMK1 P53667 1/20 0.33
GRM4 Q14833 2/20 0.32

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
SCHEMBL3664702 0.83 P2RX7 (0.46) P2RX7KDM4ESMN1; SMN2HTTTDP1
SCHEMBL26791951 0.81 KDM4E (0.51) TRPM8KDM4ESMN1; SMN2MAPTKMT2A
SCHEMBL26795701 0.80 P2RX7 (0.42) P2RX7TRPM8KDM4ESMN1; SMN2HTT
SCHEMBL26791923 0.77 TRPM8 (0.38) P2RX7TRPM8KDM4ESMN1; SMN2KMT2A
SCHEMBL3666287 0.77 KDM4E (0.53) TRPM8KDM4EMAPTKMT2AALDH1A1
SCHEMBL13043130 0.67 KDM4E (0.69) KDM4ESMN1; SMN2MAPTKMT2AALDH1A1
SCHEMBL4497703 0.67 SMN1; SMN2 (0.59) TRPM8KDM4ESMN1; SMN2MAPTKMT2A
SCHEMBL26797730 0.66 ALDH1A1 (0.68) KDM4ESMN1; SMN2KMT2AALDH1A1HPGD
SCHEMBL31412312 0.65 LMNA (0.58) KDM4ESMN1; SMN2MAPTKMT2AALDH1A1
SCHEMBL20646835 0.65 KDM4E (0.72) KDM4ESMN1; SMN2MAPTKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365531-A1 INHIBITORS OF HUMAN RESPIRATORY SYNCYTIAL VIRUS AND METAPNEUMO VIRUS MERCK SHARP & DOHME LLC (US) 2023-11-16 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-20230365531-A1 INHIBITORS OF HUMAN RESPIRATORY SYNCYTIAL VIRUS AND METAPNEUMO VIRUS METAP1, SARS1, RTF1 P2RX7 4243/4885TRPM8 3249/4885KDM4E 3953/4885

“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.