SCHEMBL4672097

SCHEMBL4672097

Cn1nnn(-c2ccc(N)cc2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.41
ADORA3 P0DMS8 4/20 0.39
ALDH1A1 P00352 6/20 0.38
MAPT P10636 3/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 3/20 0.38
MEN1 O00255 1/20 0.38
RECQL P46063 1/20 0.38
GAA P10253 1/20 0.37
ADRA2C P18825 1/20 0.37
GFER P55789 1/20 0.37
PTK2B Q14289 1/20 0.37
ESR2 Q92731 1/20 0.37
ADORA2A P29274 3/20 0.37
HTT P42858 1/20 0.37
KEAP1 Q14145 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL2611112 0.81 PTGS2 (0.46) ADORA3ALDH1A1MAPTGAASMN1; SMN2
SCHEMBL8301872 0.80 ALDH1A1 (0.51) ADORA3ALDH1A1MAPTGAAHTT
SCHEMBL4672091 0.79 ALDH1A1 (0.47) ALDH1A1KMT2AKDM4EMEN1RECQL
SCHEMBL1942309 0.79 ADRA2C (0.45) DHODHALDH1A1MAPTKMT2AKDM4E
SCHEMBL4670427 0.78 ADORA2B (0.41) DHODHADORA3ALDH1A1ADORA2ASMN1; SMN2
SCHEMBL1946789 0.77 TP53 (0.40) ALDH1A1MAPTGAAADORA2AHTT
SCHEMBL2611117 0.77 GSK3A (0.47) ALDH1A1MAPTKDM4EGAAL3MBTL1
SCHEMBL1945186 0.76 POLB (0.41) ADORA3ALDH1A1MAPTKMT2AGAA
SCHEMBL1946188 0.76 BRD4 (0.37) ALDH1A1MAPTESR2ADORA2ALMNA
Hydrochloric Acid SCHEMBL9384727 0.76 ADORA2B (0.40) DHODHADORA3ALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1054881-B1 NOVEL SULFONAMIDE SUBSTITUTED CHROMAN DERIVATIVES USEFUL AS BETA-3 ADRENORECEPTOR AGONISTS BAYER CORP (US) 2008-07-30 EP disclosed
US-6903218-B2 Sulfonamide substituted chroman derivatives BAYER PHARMACEUTICALS CORPORATION (US) 2005-06-07 US disclosed
US-20040072843-A1 Novel sulfonamide substituted chroman derivatives useful as beta 3 adrenoreceptor agonists LADOUCEUR GAETAN H (US) 2004-04-15 US disclosed
US-20030073839-A1 Compounds useful for preparation of Beta-3 adrenoreceptor agonist BAYER PHARMACEUTICALS CORPORATION 2003-04-17 US disclosed
EP-1054881-A1 NOVEL SULFONAMIDE SUBSTITUTED CHROMAN DERIVATIVES USEFUL AS BETA-3 ADRENORECEPTOR AGONISTS Bayer Corporation (US) 2000-11-29 EP disclosed
US-6051586-A HYPOGLYCEMIC AGENTS; ANTIDIABETIC AGENTS BAYER CORPORATION (US) 2000-04-18 US disclosed
WO-1999032475-A1 NOVEL SULFONAMIDE SUBSTITUTED CHROMAN DERIVATIVES USEFUL AS BETA-3 ADRENORECEPTOR AGONISTS BAYER CORPORATION (US) 1999-07-01 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 (2 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-20040072843-A1 Novel sulfonamide substituted chroman derivatives useful as beta 3 adrenoreceptor agonists ADRB3, ADRB2, ADRB1 DHODH 3907/4885ADORA3 98/4885ALDH1A1 1908/4885
US-20030073839-A1 Compounds useful for preparation of Beta-3 adrenoreceptor agonist ADRB3, ADRB2, ADRB1 DHODH 3658/4885ADORA3 61/4885ALDH1A1 1879/4885

“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.