SCHEMBL632326

SCHEMBL632326

CCC1NC(=O)Oc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
USP2 O75604 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
MAPT P10636 2/20 0.37
PKM P14618 1/20 0.37
HTT P42858 1/20 0.36
ATM Q13315 1/20 0.36
GRM8 O00222 1/20 0.36
GRM7 Q14831 1/20 0.36
GRM4 Q14833 1/20 0.36
LMNA P02545 2/20 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
SCHEMBL25559875 0.79 KMT2A (0.54) KMT2AMEN1USP2L3MBTL1TSHR
SCHEMBL17844951 0.73 LMNA (0.42) KMT2AMEN1USP2L3MBTL1MAOA
SCHEMBL17875264 0.73 KMT2A (0.45) KMT2AMEN1USP2L3MBTL1TSHR
SCHEMBL10837410 0.73 KMT2A (0.45) KMT2AMEN1USP2L3MBTL1TSHR
SCHEMBL10690124 0.73 KMT2A (0.45) KMT2AMEN1USP2L3MBTL1TSHR
SCHEMBL19407356 0.72 ALDH1A1 (0.45) KMT2AMEN1SMN1; SMN2MAOAMAOB
SCHEMBL21459061 0.72 ALDH1A1 (0.45) KMT2AMEN1SMN1; SMN2MAOAMAOB
SCHEMBL29858872 0.72 ALDH1A1 (0.45) KMT2AMEN1SMN1; SMN2MAOAMAOB
SCHEMBL1077580 0.71 MAOA (0.52) KMT2AMEN1USP2L3MBTL1TSHR
SCHEMBL29737271 0.71 MAOA (0.52) KMT2AMEN1USP2L3MBTL1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1901776-B1 NOVEL MEDICINAL COMBINATIONS WHICH ARE USED FOR TREATING RESPIRATORY TRACT DISEASES AND CONTAIN BETA-2 LONG-ACTING AGONISTS AND AT LEAST ONE OTHER TYPE OF ACTIVE SUBSTANCE BOEHRINGER INGELHEIM INT (DE) 2012-02-22 EP disclosed
EP-1911749-B1 New long-working Beta-2 agonists and their use as medicine BOEHRINGER INGELHEIM INT (DE) 2010-10-27 EP disclosed
US-7632834-B2 Long acting beta-2-agonists and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-15 US disclosed
US-20080194550-A1 LONG ACTING BETA-2-AGONISTS AND THEIR USE AS MEDICAMENTS BOUYSSOU THIERRY 2008-08-14 US disclosed
US-7375104-B2 Long acting beta-2-agonists and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-20 US disclosed
EP-1911749-A1 New long-working Beta-2 agonists and their use as medicine Boehringer Ingelheim International GmbH (DE) 2008-04-16 EP disclosed
EP-1901776-A1 NOVEL MEDICINAL COMBINATIONS WHICH ARE USED FOR TREATING RESPIRATORY TRACT DISEASES AND CONTAIN BETA-2 LONG-ACTING AGONISTS AND AT LEAST ONE OTHER TYPE OF ACTIVE SUBSTANCE Boehringer Ingelheim International GmbH (DE) 2008-03-26 EP disclosed
EP-1711480-B1 NOVEL LONG-WORKING BETA-2-AGONISTS AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2007-12-19 EP disclosed
US-20070066609-A1 Long acting beta-2-agonists and their use as medicaments BOUYSSOU THIERRY 2007-03-22 US disclosed
US-20070037781-A1 Novel combinations of medicaments for the treatment of respiratory diseases containing long-acting beta-agonists and at least one additional active ingredient BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-15 US disclosed
WO-2007003554-A1 NOVEL MEDICINAL COMBINATIONS WHICH ARE USED FOR TREATING RESPIRATORY TRACT DISEASES AND CONTAIN BETA-2 LONG-ACTING AGONISTS AND AT LEAST ONE OTHER TYPE OF ACTIVE SUBSTANCE. BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-11 WO disclosed
US-7160882-B2 Long acting β-2-agonists and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-09 US disclosed
US-20050227975-A1 New long acting beta-2-agonists and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-13 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 (4 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-20070066609-A1 Long acting beta-2-agonists and their use as medicaments ADRB2, ADRB1, CHRM1 KMT2A 4379/4885MEN1 2039/4885USP2 2939/4885
US-20050227975-A1 New long acting beta-2-agonists and their use as medicaments ADRB2, ADRA2A, ADRB1 KMT2A 3817/4885MEN1 3832/4885USP2 1517/4885
US-20070037781-A1 Novel combinations of medicaments for the treatment of respiratory diseases containing long-acting beta-agonists and at least one additional active ingredient ADRB2, ADRA2A, ADRB1 KMT2A 4328/4885MEN1 2697/4885USP2 2194/4885
US-20080194550-A1 LONG ACTING BETA-2-AGONISTS AND THEIR USE AS MEDICAMENTS ADRB2, ADRB1, CHRM1 KMT2A 4380/4885MEN1 2029/4885USP2 2923/4885

“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.