SCHEMBL22314252

SCHEMBL22314252

CC1=NN(C)C(=O)/C1=C/C=C/c1c(C)nn(C)c1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 6/20 0.36
▸ KMT2A Q03164 6/20 0.36
▸ MAPK1 P28482 5/20 0.36
▸ L3MBTL1 Q9Y468 5/20 0.36
▸ TDP1 Q9NUW8 3/20 0.36
▸ HTT P42858 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ POLB P06746 2/20 0.36
▸ MEN1 O00255 4/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.32
▸ MDM2 Q00987 1/20 0.32
▸ GPR55 Q9Y2T6 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ OPRK1 P41145 1/20 0.32

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
SCHEMBL6678561 1.00 ALDH1A1 (0.36) ALDH1A1GAAMAPTKMT2AMAPK1
SCHEMBL6682431 0.95 ALDH1A1 (0.35) ALDH1A1GAAMAPTKMT2AMAPK1
SCHEMBL6682436 0.95 ALDH1A1 (0.35) ALDH1A1GAAMAPTKMT2AMAPK1
SCHEMBL14267880 0.83 ALDH1A1 (0.36) ALDH1A1GAAMAPTKMT2AMAPK1
SCHEMBL6679145 0.83 ALDH1A1 (0.36) ALDH1A1GAAMAPTKMT2AMAPK1
SCHEMBL6679186 0.73 ALDH1A1 (0.32) ALDH1A1MAPTKMT2AMAPK1L3MBTL1
SCHEMBL22313958 0.72 ALDH1A1 (0.33) ALDH1A1MAPTKMT2AMAPK1L3MBTL1
SCHEMBL22313959 0.72 ALDH1A1 (0.33) ALDH1A1MAPTKMT2AMAPK1L3MBTL1
SCHEMBL7866883 0.69 MAPT (0.31) ALDH1A1GAAMAPTKMT2AMEN1
SCHEMBL7866881 0.69 MAPT (0.31) ALDH1A1GAAMAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230330066-A1 Vasodilator and Use Thereof BIORADICAL RESEARCH INSTITUTE CORP. (JP) 2023-10-19 — — US disclosed
WO-2021125345-A1 VASODILATOR AND USE THEREOF 株式会社バイオラジカル研究所 2021-06-24 — — WO disclosed
WO-2020158225-A1 ANTIOXIDANT AND USE THEREOF 株式会社バイオラジカル研究所 2020-08-06 — — 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 (1 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-20230330066-A1 Vasodilator and Use Thereof NOX4, NOX1, NOX5 ALDH1A1 466/4885GAA 4371/4885MAPT 4197/4885

“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.

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