SCHEMBL21721729

SCHEMBL21721729

CCn1ncc(F)c1C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.33
TSHR P16473 1/20 0.31
MPO P05164 1/20 0.31
LMNA P02545 1/20 0.31
CYP11B2 P19099 1/20 0.30
XDH P47989 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30
ABL1 P00519 1/20 0.30
BCR P11274 1/20 0.30

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
SCHEMBL16964268 0.84 MPO (0.39) HTTTSHRMPOLMNACYP11B2
SCHEMBL13545651 0.78 HTT (0.37) HTTTSHRLMNACYP11B2XDH
SCHEMBL19498013 0.78 HTT (0.33) HTTCYP11B2XDHGAAKMT2A
SCHEMBL23399489 0.76 HTT (0.36) HTTCYP11B2XDHGAAKMT2A
SCHEMBL15292249 0.76 HTT (0.39) HTTTSHRMPOLMNACYP11B2
SCHEMBL19498014 0.76 ALDH1A1 (0.39) HTTTSHRLMNACYP11B2XDH
SCHEMBL21721553 0.73 CNR1 (0.33) HTTLMNA
SCHEMBL21719474 0.72 CYP11B2 (0.34) CYP11B2
SCHEMBL24977549 0.71 MPO (0.38) HTTMPOCYP11B2
SCHEMBL16458019 0.71 MPO (0.43) HTTMPOCYP11B2XDHGAA

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-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-11-23 US disclosed
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-02-13 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-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CYP4X1, PDXK HTT 432/4885TSHR 2711/4885MPO 1909/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK HTT 432/4885TSHR 2711/4885MPO 1909/4885

“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.