SCHEMBL22140288

SCHEMBL22140288

CC(C)(C)c1nocc1I

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 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
SCHEMBL15199502 0.73 NPC1 (0.33) NPC1LMNATP53RAB9ASMN1; SMN2
SCHEMBL1106198 0.73 NPC1 (0.33) NPC1LMNATP53RAB9ASMN1; SMN2
SCHEMBL22140290 0.73
SCHEMBL22140146 0.71 NPC1 (0.32) NPC1LMNATP53RAB9ASMN1; SMN2
SCHEMBL16450983 0.71 SMN1; SMN2 (0.33) NPC1LMNATP53RAB9ASMN1; SMN2
SCHEMBL22140382 0.71 NPC1 (0.32) NPC1LMNATP53RAB9ASMN1; SMN2
SCHEMBL2090860 0.71 NPC1 (0.30) NPC1LMNATP53RAB9ASMN1; SMN2
SCHEMBL15289904 0.69
SCHEMBL15912371 0.68 NPC1 (0.31) NPC1LMNATP53RAB9ASMN1; SMN2
SCHEMBL22140412 0.67 NPC1 (0.32) NPC1LMNATP53RAB9ASMN1; SMN2

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-11000038-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-05-11 US disclosed
US-20200196600-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-06-25 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-20200196600-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, PDXK, PLPBP NPC1 4145/4885LMNA 2399/4885TP53 4372/4885
US-11000038-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, PDXK, PLPBP NPC1 4145/4885LMNA 2399/4885TP53 4372/4885

“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.