SCHEMBL7112677

SCHEMBL7112677

CN(C)S(=O)(=O)Nc1cc(C(=O)CBr)ccc1OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.49
EGFR P00533 4/20 0.47
NPC1 O15118 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
BRD4 O60885 3/20 0.45
SMPD1 P17405 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CYP19A1 P11511 5/20 0.43
SRC P12931 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ACLY P53396 1/20 0.41

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
SCHEMBL7109049 0.91 EGFR (0.45) AREGFRNPC1HPGDRAB9A
SCHEMBL7113328 0.90 EGFR (0.47) AREGFRNPC1HPGDRAB9A
SCHEMBL7111802 0.89 SMN1; SMN2 (0.47) EGFRNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL1221632 0.88 CYP19A1 (0.50) AREGFRNPC1HPGDRAB9A
SCHEMBL11671517 0.88 AR (0.52) AREGFRSMN1; SMN2BRD4SMPD1
SCHEMBL11880546 0.85 NPC1 (0.46) EGFRNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL7107169 0.85 NPC1 (0.46) EGFRNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL6074414 0.84 SLC40A1 (0.51) ARNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL11670129 0.84 EGFR (0.44) AREGFRNPC1HPGDRAB9A
SCHEMBL11741662 0.84 EGFR (0.44) AREGFRNPC1HPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030139475-A1 Novel tricyclic compounds and drug compositions containing same ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 2003-07-24 US disclosed
US-6545053-B1 Aminoethoxyfluorene derivatives are beta-3 adrenaline receptor agonists and are useful as drugs for the treatment and prevention of diabetes, obesity, hyperlipemia, etc. ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 2003-04-08 US disclosed
US-6187809-B1 BETA-3 ADRENALINE RECEPTOR AGONIST DRUGS FOR THE TREATMENT OF DIABETES, OBESITY, AND HYPERLIPEMIA; 2-(N-(2-(DIBENZOFURAN-3-YLOXY)ETHYL)AMINO)-1-PHENYLETHANOL, FOR EXAMPLE ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 2001-02-13 US disclosed
US-6172099-B1 CARBAZOLE, DIBENZOFURAN, OR DIBENZOTHIOPHENE DERIVATIVES; DIETETICS, ANTIDIABETIC AGENTS; ANTILIPEMICS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 2001-01-09 US disclosed
EP-0997458-A1 NOVEL TRICYCLIC COMPOUNDS HAVING SATURATED RINGS AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Asahi Kasei Kogyo Kabushiki Kaisha (JP) 2000-05-03 EP disclosed
US-6037362-A CARBAZOLE DERIVATIVES; DEPROTECTING, AMINATION; ANTILIPEMIC AND ANTIDIABETIC AGENTS; B-ADRENALINE RECEPTOR AGONISTS; DIETETICS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 2000-03-14 US disclosed
EP-0882707-A1 NOVEL TRICYCLIC COMPOUNDS AND DRUG COMPOSITIONS CONTAINING THE SAME Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1998-12-09 EP disclosed
US-4024281-A N,N-bis[2-(3-substituted-4-hydroxyphenyl)-ethyl or -2-hydroxyethyl]-polymethylenediamines SMITHKLINE CORPORATION (US) 1977-05-17 US disclosed
US-4021485-A BRONCHOSPASMOLYTICS, ANTIPRURITICS, ANTIALLERGICS BOEHRINGER INGELHEIM GMBH (DT) 1977-05-03 US disclosed
US-3933913-A N,N'-bis[3-substituted-4-hydroxypheyl)-2-hydroxyethyl)]-polymethylenediamines SMITHKLINE CORPORATION (US) 1976-01-20 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-20030139475-A1 Novel tricyclic compounds and drug compositions containing same ADRB3, MC2R, NR3C1 AR 46/4885EGFR 1053/4885NPC1 586/4885

“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.