SCHEMBL14166153

SCHEMBL14166153

O=C(OCc1ccccc1)c1cc(Br)cc(OCCCCCCCCC2OCCO2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
ALDH1A1 P00352 4/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HPGD P15428 1/20 0.39
LMNA P02545 2/20 0.39
ACACB O00763 2/20 0.39
TSHR P16473 2/20 0.39
MEN1 O00255 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP3A4 P08684 1/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HIF1A Q16665 1/20 0.37
NR4A2 P43354 1/20 0.37
ITGB3 P05106 1/20 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
SCHEMBL14166133 0.90 LMNA (0.43) KMT2ATDP1SLC6A2SLC6A3ALDH1A1
SCHEMBL14166179 0.88 KMT2A (0.47) KMT2ATDP1SLC6A2SLC6A3ALDH1A1
SCHEMBL20472063 0.80 KMT2A (0.59) KMT2ATDP1SLC6A2SLC6A3ALDH1A1
SCHEMBL22257619 0.77 KMT2A (0.53) KMT2ATDP1SLC6A2SLC6A3ALDH1A1
SCHEMBL9162948 0.76 PLA2G2A (0.54) KMT2ATDP1SLC6A2SLC6A3ALDH1A1
SCHEMBL9166914 0.74 PLA2G2A (0.57) KMT2ATDP1SLC6A2SLC6A3ALDH1A1
SCHEMBL9167645 0.74 CNR2 (0.53) KMT2ATDP1SLC6A2SLC6A3ALDH1A1
SCHEMBL14166156 0.73 BRD4 (0.41) KMT2AALDH1A1SMN1; SMN2LMNAACACB
SCHEMBL14166307 0.73 HTR1A (0.31) SMN1; SMN2ACACBKDM4E
SCHEMBL9323915 0.73 PLA2G2A (0.56) KMT2ATDP1ALDH1A1TSHRMEN1

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-2718280-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMA SPA (IT) 2015-09-16 EP disclosed
EP-2718280-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMA SPA (IT) 2015-09-16 EP disclosed
US-8877774-B2 Compounds having muscarinic receptor antagonist and beta2 Adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2014-11-04 US disclosed
US-8877774-B2 Compounds having muscarinic receptor antagonist and beta2 Adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2014-11-04 US disclosed
US-8877774-B2 Compounds having muscarinic receptor antagonist and beta2 Adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2014-11-04 US disclosed
EP-2718280-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY Chiesi Farmaceutici S.p.A. (IT) 2014-04-16 EP disclosed
US-20130045169-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2013-02-21 US disclosed
US-20130045169-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2013-02-21 US disclosed
WO-2012168359-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2012-12-13 WO disclosed
WO-2012168359-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2012-12-13 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 (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-20130045169-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2B KMT2A 3123/4885TDP1 4410/4885SLC6A2 1397/4885

“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.