SCHEMBL21718949

SCHEMBL21718949

CC(C)(C)c1ncc(C#N)cc1Br

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.55
MEN1 O00255 1/20 0.39
TTR P02766 1/20 0.39
ALB P02768 1/20 0.39
KMT2A Q03164 1/20 0.39
HPGDS O60760 2/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
EGLN2 Q96KS0 2/20 0.33
KIF11 P52732 1/20 0.32
PTGER4 P35408 1/20 0.31
HPGD P15428 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
SCHEMBL22550772 0.81 HTT (0.38) HTTHPGDSKDM4EALDH1A1L3MBTL1
SCHEMBL20470819 0.81 EGLN2 (0.40) HTTHPGDSKDM4EALDH1A1L3MBTL1
SCHEMBL24177962 0.79 HTT (0.39) HTTHPGDSKDM4EALDH1A1L3MBTL1
SCHEMBL12772451 0.79 KDM4E (0.39) HTTHPGDSKDM4EALDH1A1L3MBTL1
SCHEMBL21718820 0.78 HTT (0.38) HTTHPGDSKDM4EALDH1A1L3MBTL1
SCHEMBL21719026 0.75 EGLN2 (0.37) HTTHPGDSKDM4EALDH1A1L3MBTL1
SCHEMBL20388869 0.75 HPGDS (0.49) HTTHPGDSEGLN2
SCHEMBL22889834 0.75 HTT (0.60) HTTMEN1TTRALBKMT2A
SCHEMBL31200301 0.75 HTT (0.60) HTTMEN1TTRALBKMT2A
SCHEMBL21719002 0.74 KMT2A (0.46) HTTMEN1KMT2AKDM4EALDH1A1

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 4 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-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 HTT 2840/4885MEN1 1439/4885TTR 3092/4885
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CYP4X1, PDXK HTT 432/4885MEN1 511/4885TTR 1672/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK HTT 432/4885MEN1 511/4885TTR 1672/4885
US-11117863-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CBR3, CBR1 HTT 2840/4885MEN1 1439/4885TTR 3092/4885

“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.