SCHEMBL13609261

SCHEMBL13609261

Cn1c(=O)c2[nH]c(Cc3ccc(OCc4ccccc4)cc3)nc2n(C)c1=O

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.73
ADORA2A P29274 3/20 0.62
MAPK1 P28482 1/20 0.62
NCOA1 Q15788 1/20 0.62
NCOA3 Q9Y6Q9 1/20 0.62
ALDH1A1 P00352 4/20 0.59
CYP2C19 P33261 2/20 0.59
TSHR P16473 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
RXFP1 Q9HBX9 1/20 0.58
PKM P14618 1/20 0.52
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
CYP3A4 P08684 1/20 0.50
ADORA2B P29275 1/20 0.50
CYP2D6 P10635 1/20 0.49

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
SCHEMBL516456 0.89 ALDH1A1 (0.73) PABPC1ADORA2AALDH1A1CYP2C19TSHR
Ammonia Solution, Strong SCHEMBL8547494 0.87 ALDH1A1 (0.71) PABPC1ADORA2AALDH1A1CYP2C19TSHR
SCHEMBL13609274 0.86 ADORA2A (0.67) PABPC1ADORA2AMAPK1NCOA1NCOA3
SCHEMBL22521838 0.84 RXFP1 (0.65) PABPC1ADORA2AMAPK1NCOA1NCOA3
SCHEMBL13609275 0.81 RXFP1 (0.60) PABPC1ADORA2AALDH1A1CYP2C19TSHR
SCHEMBL4613444 0.79 RXFP1 (0.67) PABPC1ADORA2AALDH1A1CYP2C19TSHR
SCHEMBL25090500 0.78 ADORA2A (0.65) PABPC1ADORA2AADORA2B
SCHEMBL16029332 0.78 ALDH1A1 (0.71) PABPC1ADORA2AALDH1A1CYP2C19TSHR
SCHEMBL10350972 0.77 RXFP1 (0.65) PABPC1ADORA2AALDH1A1CYP2C19TSHR
SCHEMBL10688449 0.76 KDM4E (0.74) PABPC1ADORA2AALDH1A1CYP3A4ADORA2B

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-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-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
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 PABPC1 1816/4885ADORA2A 566/4885MAPK1 3719/4885

“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.