SCHEMBL1237162

SCHEMBL1237162

Cc1cc2c(=O)n(Cc3nc4ccccc4[nH]3)ccc2o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
HSD17B10 Q99714 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
HPGD P15428 1/20 0.42
MAPT P10636 1/20 0.42
PON1 P27169 1/20 0.41
KMT2A Q03164 2/20 0.41
DDAH1 O94760 1/20 0.41
HTT P42858 2/20 0.41
PDE10A Q9Y233 1/20 0.41
NPY5R Q15761 1/20 0.41
DRD4 P21917 2/20 0.40
HTR1A P08908 1/20 0.40
ADRA2C P18825 1/20 0.40
HTR2A P28223 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL16657021 0.76 MAPK14 (0.47) ALDH1A1LMNAHPGDMAPTKMT2A
SCHEMBL21702915 0.72 HTT (0.49) NPSR1HSD17B10ALDH1A1HPGDMAPT
SCHEMBL16657022 0.71 CYP1A2 (0.41) HSD17B10ALDH1A1LMNAMAPK1MAPT
SCHEMBL12080869 0.70 MAPT (0.40) USP2ALDH1A1LMNAHPGDMAPT
SCHEMBL1238094 0.68 CYP1A1 (0.38) HTR2A
SCHEMBL1236934 0.68 CYP1A2 (0.38) HSD17B10ALDH1A1LMNAMAPTHTR2A
SCHEMBL12080017 0.68 CYP1A2 (0.38) HSD17B10ALDH1A1LMNAMAPTHTR2A
SCHEMBL25250288 0.67 SMN1; SMN2 (0.44) ALDH1A1LMNAMAPTKMT2AHTT
SCHEMBL25939356 0.67 MAP4K1 (0.49) HPGDPON1DDAH1HTTPDE10A
SCHEMBL7745714 0.66 KRAS (0.49) HSD17B10ALDH1A1LMNAHPGDMAPT

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
US-9212187-B2 Nitrogen-containing compounds and pharmaceutical compositions thereof for the treatment of atrial fibrillation OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-15 US disclosed
US-20140343277-A1 NITROGEN-CONTAINING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF ATRIAL FIBRILLATION OTSUKA PHARCACEUTICAL CO LTD (JP) 2014-11-20 US disclosed
US-20140343278-A1 NITROGEN-CONTAINING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF ATRIAL FIBRILLATION OTSUKA PHARMA CO LTD (JP) 2014-11-20 US disclosed
US-8822453-B2 Nitrogen-containing compounds and pharmaceutical compositions thereof for the treatment of atrial fibrillation OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-09-02 US disclosed
EP-2727917-A1 Nitrogen-containing compounds and pharmaceutical compositions thereof for the treatment of atrial fibrillation OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-05-07 EP disclosed
US-20120225866-A1 NITROGEN-CONTAINING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF ATRIAL FIBRILLATION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-09-06 US disclosed
EP-2467364-A2 NITROGEN-CONTAINING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF ATRIAL FIBRILLATION Otsuka Pharmaceutical Co., Ltd. (JP) 2012-06-27 EP disclosed
WO-2011021726-A2 NITROGEN-CONTAINING COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-02-24 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 (3 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-20140343277-A1 NITROGEN-CONTAINING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF ATRIAL FIBRILLATION KCNH2, KCNH1, KCNH3 USP2 3813/4885NPSR1 118/4885HSD17B10 2103/4885
US-20140343278-A1 NITROGEN-CONTAINING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF ATRIAL FIBRILLATION KCNH2, KCNH1, KCNH3 USP2 3813/4885NPSR1 118/4885HSD17B10 2103/4885
US-20120225866-A1 NITROGEN-CONTAINING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF ATRIAL FIBRILLATION KCNH2, KCNH1, KCNH3 USP2 3813/4885NPSR1 118/4885HSD17B10 2103/4885

“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.