SCHEMBL21718972

SCHEMBL21718972

CC(C)(C)c1ccc(N2CCCC2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
ALDH1A1 P00352 5/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
ALOX15 P16050 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TERT O14746 3/20 0.41
MAPK1 P28482 3/20 0.40
S100B P04271 2/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
GAA P10253 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
PKM P14618 1/20 0.40
AR P10275 1/20 0.39
PDK2 Q15119 2/20 0.38
HPGD P15428 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38

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
SCHEMBL21718911 0.98 ALDH1A1 (0.42) MAPTALDH1A1KMT2AMEN1ALOX15
SCHEMBL12590434 0.96 GRIN1 (0.39) MAPTALDH1A1KMT2AMEN1ALOX15
SCHEMBL11947316 0.86 HTR3A (0.47) MAPTALDH1A1KMT2AMEN1MAPK1
SCHEMBL26074518 0.85 ADRB1 (0.51) MAPTALDH1A1HTTTP53
SCHEMBL17083418 0.85 P2RY1 (0.45) MAPTALDH1A1KMT2AMEN1ALOX15
SCHEMBL26074517 0.82 GAA (0.50) MAPTALDH1A1KMT2AMEN1HTT
SCHEMBL22043097 0.82 HTT (0.39) MAPTALDH1A1KMT2AMEN1ALOX15
SCHEMBL15117143 0.82 AR (0.49) MAPTALDH1A1KMT2AMEN1ALOX15
SCHEMBL21718910 0.80 HPGD (0.49) MAPTALDH1A1KMT2AMEN1ALOX15
SCHEMBL23328248 0.80 HSD11B1 (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3636636-B1 PYRIDONE COMPOUND AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE MITSUI CHEMICALS AGRO INC (JP) 2022-07-06 EP disclosed
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-11117863-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-09-14 US disclosed
US-20200172486-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-06-04 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 (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-20200172486-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CBR3, CBR1 MAPT 4211/4885ALDH1A1 525/4885KMT2A 1903/4885
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CYP4X1, PDXK MAPT 3100/4885ALDH1A1 894/4885KMT2A 1335/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK MAPT 3100/4885ALDH1A1 894/4885KMT2A 1335/4885
US-11117863-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CBR3, CBR1 MAPT 4211/4885ALDH1A1 525/4885KMT2A 1903/4885

“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.