SCHEMBL3128299

SCHEMBL3128299

N#Cc1ccc2c(c1)CCN2C(=O)CCCl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.49
TSHR P16473 3/20 0.49
MAPT P10636 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NOTUM Q6P988 2/20 0.45
HDAC1 Q13547 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
ALDH1A1 P00352 3/20 0.43
USP2 O75604 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP2C9 P11712 1/20 0.43
S1PR1 P21453 1/20 0.42
POLB P06746 1/20 0.42
TNF P01375 1/20 0.42
NOD2 Q9HC29 1/20 0.42

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
SCHEMBL4286559 0.86 NOTUM (0.62) TP53TSHRMAPTMEN1KMT2A
SCHEMBL3456314 0.83 TP53 (0.51) TP53TSHRMAPTMEN1KMT2A
SCHEMBL21425395 0.81 CYP11B1 (0.48) TP53MAPTNOTUMHDAC1HDAC8
SCHEMBL4284878 0.79 NOTUM (0.49) TP53TSHRMAPTMEN1KMT2A
SCHEMBL3457235 0.79 NOTUM (0.65) TP53MAPTMEN1KMT2ANOTUM
SCHEMBL20941553 0.77 TP53 (0.51) TP53MAPTMEN1KMT2AALDH1A1
SCHEMBL4637311 0.77 TSHR (0.81) TP53TSHRMAPTMEN1KMT2A
SCHEMBL14058839 0.76 CA12 (0.62) TSHRMEN1KMT2AALDH1A1USP2
SCHEMBL6975443 0.75 TP53 (0.54) TP53TSHRMAPTMEN1KMT2A
SCHEMBL3129984 0.75 CA12 (0.60) TP53MAPTNOTUMHDAC1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7648985-B2 Oxabispidine compounds and their use in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2010-01-19 US disclosed
US-20090270383-A1 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias ASTRAZENECA AB (SE) 2009-10-29 US disclosed
CN-101525339-A Novel oxabispidine compounds and their use in the treatment of cardiac arrhythmias ASTRAZENECA AB 2009-09-09 CN disclosed
US-20090005558-A1 Novel Oxabispidine Compounds and Their Use in the Treatment of Cardiac Arrhythmias ASTRAZENECA AB (SE) 2009-01-01 US disclosed
CN-1968956-A Novel oxabispidine compounds and their use in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2007-05-23 CN disclosed
EP-1765832-A1 NOVEL OXABISPIDINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2007-03-28 EP disclosed
WO-2005123748-A1 NOVEL OXABISPIDINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2005-12-29 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-20090270383-A1 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias KCNH1, RYR1, CACNA1E TP53 4263/4885TSHR 1482/4885MAPT 4599/4885
US-20090005558-A1 Novel Oxabispidine Compounds and Their Use in the Treatment of Cardiac Arrhythmias KCNH1, RYR1, CACNA1E TP53 4263/4885TSHR 1482/4885MAPT 4599/4885

“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.