SCHEMBL4379825

SCHEMBL4379825

Cn1c(N)c(/N=C/c2ccccc2)c(=O)n(C)c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.47
▸ MAPT P10636 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ G6PD P11413 1/20 0.46
▸ CDK1 P06493 1/20 0.44
▸ TPI1 P60174 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ GAA P10253 4/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ LIG1 P18858 2/20 0.43
▸ GLA P06280 1/20 0.43
▸ LIG3 P49916 1/20 0.43
▸ LIG4 P49917 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.41
▸ CASP6 P55212 1/20 0.41

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
SCHEMBL4379829 1.00 ALDH1A1 (0.47) ALDH1A1MAPTMEN1HPGDKMT2A
SCHEMBL9766429 0.83 KMT2A (0.46) ALDH1A1MAPTMEN1HPGDKMT2A
SCHEMBL9766431 0.83 KMT2A (0.46) ALDH1A1MAPTMEN1HPGDKMT2A
SCHEMBL4407466 0.77 G6PD (0.57) ALDH1A1HPGDKMT2AG6PDCDK1
SCHEMBL7436514 0.77 G6PD (0.57) ALDH1A1HPGDKMT2AG6PDCDK1
SCHEMBL24127400 0.74 ALDH1A1 (0.43) ALDH1A1MAPTMEN1HPGDKMT2A
SCHEMBL4193697 0.73 CASP6 (0.66) ALDH1A1MAPTMEN1HPGDKMT2A
SCHEMBL24127401 0.72 CA12 (0.47) ALDH1A1MAPTMEN1HPGDKMT2A
SCHEMBL2950116 0.71 MAPT (0.65) ALDH1A1MAPTMEN1HPGDKMT2A
SCHEMBL2950117 0.71 MAPT (0.65) ALDH1A1MAPTMEN1HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871751-B2 Compositions and methods relating to nuclear hormone and steroid hormone receptors including inhibitors of estrogen receptor alpha-mediated gene expression and inhibition of breast cancer THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2014-10-28 — — US disclosed
US-20090291972-A1 Compositions and Methods Relating to Nuclear Hormone and Steroid Hormone Receptors Including Inhibitors of Estrogen Receptor Alpha-mediated Gene Expression and Inhibition of Breast Cancer THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2009-11-26 — — 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 (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-20090291972-A1 Compositions and Methods Relating to Nuclear Hormone and Steroid Hormone Receptors Including Inhibitors of Estrogen Receptor Alpha-mediated Gene Expression and Inhibition of Breast Cancer PGR, ESR1, CYP19A1 ALDH1A1 803/4885MAPT 4478/4885MEN1 3667/4885

“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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