SCHEMBL21719002

SCHEMBL21719002

CC(C)(C)c1ncc(Br)cc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
HTT P42858 1/20 0.46
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 3/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
DYRK1A Q13627 3/20 0.32
RAB9A P51151 1/20 0.32
PKM P14618 2/20 0.31
AURKA O14965 1/20 0.31
DAPK3 O43293 1/20 0.31
JAK2 O60674 1/20 0.31
PRKD3 O94806 1/20 0.31

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
SCHEMBL21718931 0.83 HTT (0.34) KMT2AHTTHPGDHSD17B10SMN1; SMN2
SCHEMBL21718950 0.82 S1PR1 (0.38) KMT2AHTTHPGDHSD17B10SMN1; SMN2
SCHEMBL25623946 0.80 HTT (0.35) KMT2AHTTHPGDHSD17B10SMN1; SMN2
SCHEMBL21718830 0.80 CCR1 (0.35) HPGDCYP1A2
SCHEMBL21718921 0.78 PLAU (0.42) KMT2AHTTHPGDHSD17B10SMN1; SMN2
SCHEMBL21718409 0.78 PLAU (0.42) KMT2AHTTHPGDHSD17B10L3MBTL1
SCHEMBL21718458 0.78 HPGD (0.32) HPGD
SCHEMBL2256015 0.77 KMT2A (0.46) KMT2AHTTMAPTALDH1A1DYRK1A
SCHEMBL21718943 0.77 CA1 (0.39) ALDH1A1L3MBTL1RAB9AKDM4E
SCHEMBL2812310 0.77 NPC1 (0.40) KMT2AHTTHPGDHSD17B10MAPT

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 KMT2A 1903/4885HTT 2840/4885HPGD 829/4885
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CYP4X1, PDXK KMT2A 1335/4885HTT 432/4885HPGD 159/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK KMT2A 1335/4885HTT 432/4885HPGD 159/4885
US-11117863-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CBR3, CBR1 KMT2A 1903/4885HTT 2840/4885HPGD 829/4885

“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.