SCHEMBL5120836

SCHEMBL5120836

O=C(CBr)c1ccc(OCc2ccccc2)c2[nH]c(=O)sc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HPGD P15428 3/20 0.40
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
HPGDS O60760 1/20 0.38
SGMS2 Q8NHU3 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SRD5A2 P31213 1/20 0.36
CXCR2 P25025 1/20 0.36
CX3CR1 P49238 1/20 0.36
EGFR P00533 1/20 0.35
ADRB2 P07550 4/20 0.35

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
SCHEMBL5112667 0.87 MEN1 (0.36) L3MBTL1TDP1HPGDALDH1A1HPGDS
SCHEMBL5127294 0.86 MAPT (0.53) FOLH1L3MBTL1SMN1; SMN2TDP1MAPT
SCHEMBL4135458 0.78 ADRB2 (0.48) ADRB2ADRB1DRD3
SCHEMBL6430534 0.78 ADRB2 (0.48) ADRB2ADRB1DRD3
SCHEMBL99439 0.78 HPGDS (0.44) FOLH1L3MBTL1SMN1; SMN2TDP1MAPT
SCHEMBL4230593 0.74 ADRB2 (0.49) ADRB2ADRB1DRD3
Hydrochloric Acid SCHEMBL4129700 0.74 ADRB2 (0.48) ADRB2ADRB1DRD3
SCHEMBL18428719 0.73 HPGDS (0.64) FOLH1L3MBTL1SMN1; SMN2TDP1MAPT
SCHEMBL5112136 0.73 SMN1; SMN2 (0.41) L3MBTL1SMN1; SMN2TDP1MAPTCYP2C9
SCHEMBL2999130 0.72 SGMS2 (0.59) FOLH1L3MBTL1SMN1; SMN2TDP1MAPT

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-7402598-B2 Arylethanolamine β2-adrenoreceptor agonist compounds GLAXO GROUP LIMITED (GB) 2008-07-22 US disclosed
US-20060111344-A1 Arylethanolamine beta2-adrenoreceptor agonist compounds GLAXO GROUP LIMITED (GB) 2006-05-25 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-20060111344-A1 Arylethanolamine beta2-adrenoreceptor agonist compounds ADRB2, ADRB1, ADRA2A FOLH1 1498/4885L3MBTL1 4048/4885SMN1; SMN2 2025/4885

“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.