SCHEMBL5632075

SCHEMBL5632075

O=C1c2ccccc2C(=O)N1CCCOc1ccc(O)c(Br)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.61
MAPT P10636 3/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
L3MBTL1 Q9Y468 2/20 0.52
HPGD P15428 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
TDP1 Q9NUW8 2/20 0.50
KMT2A Q03164 2/20 0.50
NPC1 O15118 1/20 0.50
HSD17B10 Q99714 2/20 0.48
POLB P06746 1/20 0.48
APEX1 P27695 1/20 0.48
MEN1 O00255 1/20 0.47
PRKDC P78527 1/20 0.46
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL27419824 0.84 RAB9A (0.61) RAB9AMAPTSMN1; SMN2L3MBTL1HPGD
SCHEMBL31648147 0.83 RAB9A (0.59) RAB9AMAPTSMN1; SMN2L3MBTL1HPGD
SCHEMBL5631048 0.81 RAB9A (0.57) RAB9AMAPTSMN1; SMN2L3MBTL1HPGD
SCHEMBL14606604 0.81 RAB9A (0.57) RAB9AMAPTSMN1; SMN2L3MBTL1HPGD
SCHEMBL24658769 0.80 RAB9A (0.77) RAB9AMAPTSMN1; SMN2L3MBTL1HPGD
SCHEMBL5631833 0.80 RAB9A (0.77) RAB9AMAPTSMN1; SMN2L3MBTL1HPGD
SCHEMBL6542880 0.80 RAB9A (0.65) RAB9AMAPTSMN1; SMN2L3MBTL1HPGD
SCHEMBL4235445 0.80 RAB9A (0.86) RAB9AMAPTSMN1; SMN2L3MBTL1HPGD
SCHEMBL14572742 0.79 RAB9A (0.58) RAB9AMAPTSMN1; SMN2L3MBTL1HPGD
SCHEMBL7213277 0.79 RAB9A (0.69) RAB9AMAPTSMN1; SMN2L3MBTL1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070060748-A1 Compounds with mixed pde-inhibitory and beta-adrenergic antagonist or partial agonist activity for treatment of heart failure ARTESIAN THERAPEUTICS, INC. 2007-03-15 US disclosed
US-20070060748-A1 Compounds with mixed pde-inhibitory and beta-adrenergic antagonist or partial agonist activity for treatment of heart failure ARTESIAN THERAPEUTICS, INC. 2007-03-15 US disclosed
US-20070060748-A1 Compounds with mixed pde-inhibitory and beta-adrenergic antagonist or partial agonist activity for treatment of heart failure ARTESIAN THERAPEUTICS, INC. 2007-03-15 US disclosed
EP-1565472-A2 COMPOUNDS WITH MIXED PDE-INHIBITORY AND BETA-ADRENERGIC ANTAGONIST OR PARTIAL AGONIST ACTIVITY FOR TREATMENT OF HEART FAILURE Artesian Therapeutics, Inc. (US) 2005-08-24 EP disclosed
WO-2004050657-A2 COMPOUNDS WITH MIXED PDE-INHIBITORY AND β-ADRENERGIC ANTAGONIST OR PARTIAL AGONIST ACTIVITY FOR TREATMENT OF HEART FAILURE ARTESIAN THERAPEUTICS, INC. (US) 2004-06-17 WO disclosed
WO-2004050657-A2 COMPOUNDS WITH MIXED PDE-INHIBITORY AND β-ADRENERGIC ANTAGONIST OR PARTIAL AGONIST ACTIVITY FOR TREATMENT OF HEART FAILURE ARTESIAN THERAPEUTICS, INC. (US) 2004-06-17 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-20070060748-A1 Compounds with mixed pde-inhibitory and beta-adrenergic antagonist or partial agonist activity for treatment of heart failure ADRB3, PDE3A, PDE3B RAB9A 847/4885MAPT 1575/4885SMN1; SMN2 1551/4885

“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.