Aerugine

Aerugine

SCHEMBL12468920

OCC1CSC(c2ccccc2O)=N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 11/20 1.00
HTR3A P46098 5/20 0.60
HTR1D P28221 4/20 0.60
HTR7 P34969 2/20 0.60
HTR2C P28335 6/20 0.50
HSD17B10 Q99714 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
BCL2L1 Q07817 1/20 0.37
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
HTR2A P28223 2/20 0.35
HTR6 P50406 2/20 0.35
KDM1A O60341 1/20 0.34
HTR1E P28566 1/20 0.34
HTR5A P47898 1/20 0.34
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33

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
Aerugine SCHEMBL29926829 1.00 HTR2B (1.00) HTR2BHTR3AHTR1DHTR7HTR2C
Aerugine SCHEMBL12468918 1.00 HTR2B (1.00) HTR2BHTR3AHTR1DHTR7HTR2C
SCHEMBL1268305 0.82 HTR2B (0.69) HTR2BHTR3AHTR1DHTR7HTR2C
SCHEMBL1268310 0.82 HTR2B (0.69) HTR2BHTR3AHTR1DHTR7HTR2C
SCHEMBL1266688 0.80 HTR2B (0.66) HTR2BHTR3AHTR1DHTR7HTR2C
SCHEMBL1266690 0.80 HTR2B (0.66) HTR2BHTR3AHTR1DHTR7HTR2C
SCHEMBL19307988 0.77 HTR2B (0.62) HTR2BHTR3AHTR1DHTR7HTR2C
SCHEMBL15423025 0.74 HTR2B (0.57) HTR2BHTR3AHTR1DHTR7HTR2C
SCHEMBL1686982 0.73 HTR2B (0.76) HTR2BHTR3AHTR1DHTR7HTR2C
SCHEMBL30608416 0.73 HTR2B (0.76) HTR2BHTR3AHTR1DHTR7HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115177616-B Application of streptomyces bricorubidus extract in preparation of anti-aging product 中国农业科学院农产品加工研究所 2022-11-11 CN disclosed
CN-115177616-A Application of streptomyces bricorubidus extract in preparation of anti-aging product 中国农业科学院农产品加工研究所 2022-10-14 CN disclosed
US-9751847-B2 Methods and compositions related to neuroactive thiazoline compounds UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2017-09-05 US disclosed
US-20140018400-A1 METHODS AND COMPOSITIONS RELATED TO NEUROACTIVE THIAZOLINE COMPOUNDS UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2014-01-16 US disclosed
US-20140018400-A1 METHODS AND COMPOSITIONS RELATED TO NEUROACTIVE THIAZOLINE COMPOUNDS UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2014-01-16 US disclosed
WO-2012051502-A1 METHODS AND COMPOSITIONS RELATED TO NEUROACTIVE THIAZOLINE COMPOUNDS UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2012-04-19 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-20140018400-A1 METHODS AND COMPOSITIONS RELATED TO NEUROACTIVE THIAZOLINE COMPOUNDS TACR2, TACR3, TACR1 HTR2B 58/4885HTR3A 41/4885HTR1D 154/4885

“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.