SCHEMBL1551933

SCHEMBL1551933

Cc1[c]cc(N(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.48
TSHR P16473 6/20 0.48
ALOX15 P16050 4/20 0.48
HSD17B10 Q99714 4/20 0.48
MAPK1 P28482 5/20 0.39
CYP3A4 P08684 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
TP53 P04637 2/20 0.39
MAPT P10636 3/20 0.37
KDM4E B2RXH2 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.34
HPGD P15428 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SLC2A1 P11166 1/20 0.34
HIF1A Q16665 1/20 0.34
CYP2A6 P11509 1/20 0.34
CYP2A13 Q16696 1/20 0.34
APP P05067 2/20 0.33
HBB P68871 1/20 0.33

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
SCHEMBL2779576 0.75 ALDH1A1 (0.48) ALDH1A1TSHRALOX15HSD17B10MAPK1
SCHEMBL6483758 0.73 ALDH1A1 (0.46) ALDH1A1TSHRALOX15HSD17B10MAPK1
SCHEMBL194462 0.73 ALDH1A1 (0.46) ALDH1A1TSHRALOX15HSD17B10MAPK1
SCHEMBL5182596 0.73 ALDH1A1 (0.48) ALDH1A1TSHRALOX15HSD17B10MAPK1
SCHEMBL9127771 0.73 ALDH1A1 (0.46) ALDH1A1TSHRALOX15HSD17B10MAPK1
SCHEMBL7690993 0.70 ALDH1A1 (0.42) ALDH1A1TSHRALOX15HSD17B10MAPK1
SCHEMBL65261 0.67 ALDH1A1 (1.00) ALDH1A1TSHRALOX15HSD17B10MAPK1
SCHEMBL7101528 0.67
SCHEMBL15474947 0.66 MAPT (0.44) ALDH1A1TSHRALOX15HSD17B10MAPK1
SCHEMBL28898407 0.65

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-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-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-20110207733-A1 PYRIMIDINE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME CORP. 2011-08-25 US disclosed
EP-2312946-A1 PYRIMIDINE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE Merck Sharp & Dohme Corp. (US) 2011-04-27 EP disclosed
WO-2010019393-A1 PYRIMIDINE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME CORP. (US) 2010-02-18 WO 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 (3 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-20110207733-A1 PYRIMIDINE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE TYMP, BACE1, TYMS ALDH1A1 1945/4885TSHR 4696/4885ALOX15 2369/4885
US-20200196600-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, PDXK, PLPBP ALDH1A1 814/4885TSHR 1857/4885ALOX15 1167/4885
US-11000038-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, PDXK, PLPBP ALDH1A1 814/4885TSHR 1857/4885ALOX15 1167/4885

“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.