SCHEMBL4670082

SCHEMBL4670082

CCCn1nnn(-c2ccc([N+](=O)[O-])cc2)c1=O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 3/20 0.47
IDO1 P14902 1/20 0.44
TDO2 P48775 1/20 0.44
PKM P14618 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
POLB P06746 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
PTGS2 P35354 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 4/20 0.42
HTT P42858 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
SIRT6 Q8N6T7 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
SCHEMBL4670425 0.83 KMT2A (0.43) KMT2AMEN1MAPTIDO1TDO2
SCHEMBL4673681 0.80 KMT2A (0.54) KMT2AMEN1MAPTIDO1TDO2
SCHEMBL4673671 0.79 SIGMAR1 (0.52) KMT2AMEN1MAPTIDO1TDO2
SCHEMBL4670427 0.79 ADORA2B (0.41) SMN1; SMN2ALDH1A1LMNA
SCHEMBL4676105 0.78 PKM (0.46) KMT2AMEN1MAPTIDO1TDO2
SCHEMBL4675660 0.78 ROCK2 (0.56) KMT2AMEN1MAPTIDO1TDO2
Hydrochloric Acid SCHEMBL9384727 0.78 ADORA2B (0.40) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL4672275 0.77 ALDH1A1 (0.44) KMT2AMEN1MAPTIDO1TDO2
SCHEMBL4672086 0.77 KCNJ1 (0.53) KMT2AMEN1MAPTSMN1; SMN2NPC1
SCHEMBL4675267 0.76 ALDH1A1 (0.41) KMT2AMEN1MAPTIDO1TDO2

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
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
EP-0331232-B1 5-lipoxygenase inhibiting 4-(4-phenyl-1-piperazinyl)phenols JANSSEN PHARMACEUTICA NV (BE) 1994-05-18 EP disclosed
US-4931444-A FOR LEUKOTRIENE-MEDIATED DISEASES AND DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 1990-06-05 US disclosed
EP-0331232-A2 5-lipoxygenase inhibiting 4-(4-phenyl-1-piperazinyl)phenols JANSSEN PHARMACEUTICA N.V. (BE) 1989-09-06 EP 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 KMT2A 2831/4885MEN1 3597/4885MAPT 3838/4885
US-20030073839-A1 Compounds useful for preparation of Beta-3 adrenoreceptor agonist ADRB3, ADRB2, ADRB1 KMT2A 3979/4885MEN1 3337/4885MAPT 3702/4885

“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.