SCHEMBL4675660

SCHEMBL4675660

O=c1n(Cc2ccccc2)nnn1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.56
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
PKM P14618 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
LMNA P02545 2/20 0.48
IDO1 P14902 1/20 0.48
TDO2 P48775 1/20 0.48
KDM4E B2RXH2 1/20 0.47
CYP19A1 P11511 1/20 0.46
ALDH1A1 P00352 3/20 0.46
POLB P06746 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
APP P05067 1/20 0.44
MAPT P10636 1/20 0.44
SNCA P37840 1/20 0.44
CFTR P13569 1/20 0.44

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
SCHEMBL4673671 0.85 SIGMAR1 (0.52) KMT2AMEN1PKMSMN1; SMN2IDO1
SCHEMBL5906370 0.84 TGM2 (0.55) ROCK2KMT2AMEN1LMNAALDH1A1
SCHEMBL5906472 0.81 ALDH1A1 (0.63) KMT2AMEN1SMN1; SMN2LMNAKDM4E
SCHEMBL4670086 0.80 ROCK2 (0.61) ROCK2SMN1; SMN2IDO1TDO2
SCHEMBL4676105 0.79 PKM (0.46) KMT2AMEN1PKMSMN1; SMN2LMNA
SCHEMBL4670082 0.78 KMT2A (0.48) KMT2AMEN1PKMSMN1; SMN2LMNA
SCHEMBL5906030 0.78 KMT2A (0.56) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL4670084 0.76 ROCK2 (0.56) ROCK2KMT2AMEN1ALDH1A1
SCHEMBL5906411 0.75 MEN1 (0.46) ROCK2KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL4672023 0.74 ALDH1A1 (0.44) KMT2AMEN1PKMSMN1; SMN2LMNA

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 8 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
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 ROCK2 3077/4885KMT2A 2831/4885MEN1 3597/4885
US-20030073839-A1 Compounds useful for preparation of Beta-3 adrenoreceptor agonist ADRB3, ADRB2, ADRB1 ROCK2 3512/4885KMT2A 3979/4885MEN1 3337/4885

“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.