SCHEMBL21680780

SCHEMBL21680780

CCONC(=O)N1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 5/20 0.45
HTT P42858 2/20 0.42
CHRM1 P11229 2/20 0.42
MEN1 O00255 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HPGD P15428 1/20 0.41
POLB P06746 1/20 0.40
ALOX15 P16050 1/20 0.39

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
SCHEMBL21680819 0.98 KMT2A (0.45) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL15415403 0.78 HTT (0.50) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL30677857 0.76 KMT2A (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL21680885 0.76 HTT (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL17273858 0.74 KMT2A (0.78) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL4803949 0.74 KMT2A (0.78) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL966438 0.74 KMT2A (0.78) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL3125309 0.72 CHRM1 (0.50) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL6238532 0.72 NPC1 (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL21138457 0.71 ALDH1A1 (0.61) SMN1; SMN2ALDH1A1HTTCHRM1TDP1

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
US-11147272-B2 Pyridone compounds and agricultural and horticultural fungicides comprising the same as active ingredients MITSUI CHEMICALS ARGRO, INC. (JP) 2021-10-19 US disclosed
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
EP-3611164-A1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT Mitsui Chemicals Agro, Inc. (JP) 2020-02-19 EP disclosed
EP-3611166-A1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT Mitsui Chemicals Agro, Inc. (JP) 2020-02-19 EP disclosed
US-20200045963-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES COMPRISING 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 (4 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 4145/4885RAB9A 2877/4885SMN1; SMN2 3515/4885
US-20200045963-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES COMPRISING THE SAME AS ACTIVE INGREDIENTS PNPO, PDXK, PLPBP NPC1 4243/4885RAB9A 3434/4885SMN1; SMN2 2936/4885
US-11147272-B2 Pyridone compounds and agricultural and horticultural fungicides comprising the same as active ingredients PNPO, PDXK, PLPBP NPC1 4243/4885RAB9A 3434/4885SMN1; SMN2 2936/4885
US-11000038-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, PDXK, PLPBP NPC1 4145/4885RAB9A 2877/4885SMN1; SMN2 3515/4885

“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.