SCHEMBL4670053

SCHEMBL4670053

Cc1ccc(C)n1-c1ccc([C@@H](O)CNN)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 5/20 0.44
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 5/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
HTR1A P08908 1/20 0.32
THPO P40225 1/20 0.32
BLM P54132 1/20 0.32
NMUR2 Q9GZQ4 1/20 0.32
CYP2C9 P11712 1/20 0.32
HIF1A Q16665 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
RECQL P46063 1/20 0.31

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
SCHEMBL5727824 0.85 KDM4E (0.45) KDM4EALDH1A1L3MBTL1SMN1; SMN2TDP1
SCHEMBL4614360 0.85 KDM4E (0.45) KDM4EALDH1A1L3MBTL1SMN1; SMN2TDP1
Hydrochloric Acid SCHEMBL4677792 0.84 KDM4E (0.44) KDM4EALDH1A1L3MBTL1SMN1; SMN2TDP1
Hydrochloric Acid SCHEMBL8126191 0.84 KDM4E (0.44) KDM4EALDH1A1L3MBTL1SMN1; SMN2TDP1
SCHEMBL2083301 0.82 ALDH1A1 (0.38) KDM4EALDH1A1L3MBTL1HIF1ALMNA
SCHEMBL2086312 0.82 KDM4E (0.45) KDM4EALDH1A1L3MBTL1SMN1; SMN2TDP1
SCHEMBL1841051 0.81 KDM4E (0.38) KDM4EALDH1A1L3MBTL1TDP1BLM
SCHEMBL13949318 0.81 KDM4E (0.38) KDM4EALDH1A1L3MBTL1TDP1BLM
SCHEMBL22533940 0.81 KDM4E (0.38) KDM4EALDH1A1L3MBTL1TDP1BLM
SCHEMBL1843192 0.81 KDM4E (0.38) KDM4EALDH1A1L3MBTL1TDP1BLM

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 AOC3 1011/4885KDM4E 4058/4885ALDH1A1 1908/4885
US-20030073839-A1 Compounds useful for preparation of Beta-3 adrenoreceptor agonist ADRB3, ADRB2, ADRB1 AOC3 856/4885KDM4E 4659/4885ALDH1A1 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.