SCHEMBL29308376

SCHEMBL29308376

C=CN(C)c1ncc(SCC)c(-c2ncc(-c3ccc(OC(F)(F)F)cc3)n2C)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP1A1 P05023 1/20 0.38
ATP1B1 P05026 1/20 0.38
ATP1A3 P13637 1/20 0.38
ATP1B2 P14415 1/20 0.38
ATP1A2 P50993 1/20 0.38
ATP1B3 P54709 1/20 0.38
FXYD2 P54710 1/20 0.38
ATP1A4 Q13733 1/20 0.38
CACNA2D1 P54289 1/20 0.33
TDP2 O95551 1/20 0.32
PPARD Q03181 3/20 0.32
PPARA Q07869 2/20 0.32
TEAD1 P28347 2/20 0.32
TEAD4 Q15561 2/20 0.32
TEAD2 Q15562 2/20 0.32
TEAD3 Q99594 2/20 0.32
MAPT P10636 3/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
LDLR P01130 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
SCHEMBL19981433 0.82 ATP1A1 (0.42) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL19981434 0.77 ATP1A1 (0.38) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL29455614 0.77 ATP1A1 (0.38) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL30785096 0.71 ATP1A1 (0.41) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL29308353 0.67 NPC1 (0.39) MAPTMEN1KMT2ALDLRPCSK9
SCHEMBL24460261 0.66 ATP1A1 (0.55) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL19981424 0.65 ATP1A1 (0.42) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL21182215 0.64 ATP1A1 (0.39) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL29308354 0.64 LDLR (0.37) MAPTMEN1KMT2ALDLRPCSK9
SCHEMBL20708548 0.63 POLB (0.36) TP53NPC1

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-12037326-B2 Diaryl-azole compound and formulation for controlling harmful organism NIPPON SODA CO., LTD. (JP) 2024-07-16 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-12037326-B2 Diaryl-azole compound and formulation for controlling harmful organism CRY1, CRKL, CDC5L ATP1A1 470/4885ATP1B1 332/4885ATP1A3 569/4885

“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.