SCHEMBL6281604

SCHEMBL6281604

O=S(=O)(Nc1ncccn1)c1ccc(Br)cc1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.69
DHFR P00374 1/20 0.69
LMNA P02545 1/20 0.69
TSHR P16473 1/20 0.69
KMT2A Q03164 5/20 0.61
MEN1 O00255 4/20 0.61
KDM4E B2RXH2 3/20 0.61
ALDH1A1 P00352 3/20 0.61
TDP1 Q9NUW8 1/20 0.59
GAA P10253 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
MAPT P10636 1/20 0.54

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
SCHEMBL332569 0.82 TSHR (0.70) AURKADHFRLMNATSHRKMT2A
SCHEMBL12306892 0.81 ALDH1A1 (0.87) AURKADHFRLMNATSHRKMT2A
Sulfadiazine SCHEMBL24176 0.81 LMNA (1.00) AURKADHFRLMNATSHRKMT2A
SCHEMBL9209077 0.81 AURKA (0.69) AURKADHFRLMNATSHRKMT2A
Sulfadiazine SCHEMBL10422849 0.81 LMNA (1.00) AURKADHFRLMNATSHRKMT2A
Sulfadiazine SCHEMBL30080807 0.81 LMNA (1.00) AURKADHFRLMNATSHRKMT2A
SCHEMBL6284075 0.81 EDNRB (0.56) AURKADHFRLMNATSHRALDH1A1
SCHEMBL13962914 0.81 ALDH1A1 (0.74) LMNAKMT2AMEN1KDM4EALDH1A1
Sulfadiazine SCHEMBL34517 0.80 LMNA (0.96) AURKADHFRLMNATSHRKMT2A
Sulfadiazine SCHEMBL16860643 0.80 LMNA (0.96) AURKADHFRLMNATSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050215594-A1 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists BAYER PHARMACEUTICALS CORPORATION (US) 2005-09-29 US disclosed
US-6919371-B2 2,6-substituted chroman derivatives useful as beta-3 adrenoreceptor agonists BAYER PHARMACEUTICALS CORPORATION (US) 2005-07-19 US disclosed
US-20040072828-A1 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists BAYER PHARMACEUTICALS CORPORATION 2004-04-15 US disclosed
US-6660752-B2 Adrenergic blocking agents BAYER PHARMACEUTICALS CORPORATION 2003-12-09 US disclosed
US-20030078260-A1 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists BAYER PHARMACEUTICALS CORPORATION 2003-04-24 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 (3 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-20050215594-A1 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists ADRB3, ADRB2, ADRB1 AURKA 2232/4885DHFR 4801/4885LMNA 1359/4885
US-20040072828-A1 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists ADRB3, ADRB2, ADRB1 AURKA 2232/4885DHFR 4801/4885LMNA 1359/4885
US-20030078260-A1 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists ADRB3, ADRB2, ADRB1 AURKA 2232/4885DHFR 4801/4885LMNA 1359/4885

“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.