SCHEMBL22314652

SCHEMBL22314652

CC1=NN(c2ccccc2)C(=O)/C1=C/C=C/C1C(C)=NN(c2ccccc2)C1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 14/20 0.58
▸ MAPT P10636 12/20 0.58
▸ MAPK1 P28482 11/20 0.58
▸ L3MBTL1 Q9Y468 9/20 0.58
▸ ALDH1A1 P00352 8/20 0.58
▸ HTT P42858 7/20 0.58
▸ TDP1 Q9NUW8 6/20 0.58
▸ LMNA P02545 5/20 0.58
▸ POLB P06746 2/20 0.58
▸ MEN1 O00255 11/20 0.55
▸ KDM4E B2RXH2 5/20 0.55
▸ GAA P10253 5/20 0.55
▸ SMN1; SMN2 Q16637 4/20 0.55
▸ PKM P14618 3/20 0.55
▸ OPRK1 P41145 2/20 0.55
▸ RECQL P46063 1/20 0.55
▸ MMP14 P50281 1/20 0.55
▸ MDM2 Q00987 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ GPR55 Q9Y2T6 1/20 0.48

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
SCHEMBL10085310 0.86 KDM4E (0.53) KMT2AMAPTMAPK1L3MBTL1ALDH1A1
SCHEMBL19651990 0.73 KAT8 (0.55) KMT2AMAPTMAPK1L3MBTL1ALDH1A1
SCHEMBL13678890 0.72 KDM4E (0.68) KMT2AMAPTMAPK1L3MBTL1ALDH1A1
SCHEMBL14518012 0.72 KDM4E (0.68) KMT2AMAPTMAPK1L3MBTL1ALDH1A1
SCHEMBL26458957 0.71 KMT2A (1.00) KMT2AMAPTMAPK1L3MBTL1ALDH1A1
SCHEMBL6952167 0.69 KDM4E (0.68) KMT2AMAPTMAPK1L3MBTL1ALDH1A1
SCHEMBL6952163 0.69 KDM4E (0.68) KMT2AMAPTMAPK1L3MBTL1ALDH1A1
SCHEMBL28967916 0.68 KMT2A (0.81) KMT2AMAPTMAPK1L3MBTL1ALDH1A1
SCHEMBL28476008 0.68 KMT2A (0.81) KMT2AMAPTMAPK1L3MBTL1ALDH1A1
SCHEMBL10035997 0.68 KMT2A (0.81) KMT2AMAPTMAPK1L3MBTL1ALDH1A1

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-20230330066-A1 Vasodilator and Use Thereof BIORADICAL RESEARCH INSTITUTE CORP. (JP) 2023-10-19 — — US disclosed
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 KMT2A 3570/4885MAPT 4197/4885MAPK1 133/4885

“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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