SCHEMBL13609281

SCHEMBL13609281

Cn1c(=S)c2[nH]c(CSCc3ccccc3)nc2n(C)c1=O

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.80
CYP2C19 P33261 1/20 0.80
CYP1A2 P05177 4/20 0.59
CYP2C9 P11712 3/20 0.59
HIF1A Q16665 1/20 0.59
HSD17B10 Q99714 2/20 0.55
CYP3A4 P08684 1/20 0.55
HPGD P15428 1/20 0.55
ALOX15 P16050 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.53
TSHR P16473 1/20 0.53
PABPC1 P11940 1/20 0.48
KDM4E B2RXH2 2/20 0.45
ADORA3 P0DMS8 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA2B P29275 1/20 0.45
ADORA1 P30542 1/20 0.45
BLM P54132 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
GLA P06280 1/20 0.45

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
SCHEMBL4226426 0.89 ALDH1A1 (1.00) ALDH1A1CYP2C19CYP1A2HSD17B10CYP3A4
SCHEMBL13609255 0.74 CYP1A2 (1.00) ALDH1A1CYP2C19CYP1A2CYP2C9HIF1A
SCHEMBL516456 0.73 ALDH1A1 (0.73) ALDH1A1CYP2C19CYP1A2HSD17B10CYP3A4
SCHEMBL22521808 0.72 CYP1A2 (0.53) ALDH1A1CYP2C19CYP1A2CYP2C9HIF1A
SCHEMBL16029332 0.72 ALDH1A1 (0.71) ALDH1A1CYP2C19CYP1A2HSD17B10CYP3A4
Ammonia Solution, Strong SCHEMBL8547494 0.72 ALDH1A1 (0.71) ALDH1A1CYP2C19CYP1A2HSD17B10CYP3A4
SCHEMBL22521730 0.71 CYP3A4 (0.54) ALDH1A1CYP2C19CYP1A2CYP2C9HIF1A
SCHEMBL22521787 0.71 CYP1A2 (0.68) ALDH1A1CYP1A2CYP2C9HIF1AHSD17B10
SCHEMBL22521683 0.70 ALDH1A1 (0.68) ALDH1A1CYP2C19CYP1A2CYP2C9HIF1A
SCHEMBL7093373 0.68 CYP2C9 (0.50) ALDH1A1CYP1A2CYP2C9HIF1AHSD17B10

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-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 ALDH1A1 803/4885CYP2C19 548/4885CYP1A2 137/4885

“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.