SCHEMBL919845

SCHEMBL919845

CCCCCC[N]C1CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.40
TSHR P16473 2/20 0.40
THRB P10828 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NAAA Q02083 1/20 0.39
EPHX1 P07099 1/20 0.37
ALDH1A1 P00352 4/20 0.34
TDP1 Q9NUW8 1/20 0.33
SPHK1 Q9NYA1 1/20 0.33
ADH1C P00326 1/20 0.32
ADH1A P07327 1/20 0.32
ADH4 P08319 1/20 0.32
GNAI3 P08754 1/20 0.32
GNAO1 P09471 1/20 0.32
GNAI1 P63096 1/20 0.32
DNM1 Q05193 3/20 0.32
LMNA P02545 2/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL919810 0.97
SCHEMBL10444597 0.91 SIGMAR1 (0.42) SIGMAR1TSHRTHRBMEN1KMT2A
SCHEMBL7055348 0.91 SIGMAR1 (0.42) SIGMAR1TSHRTHRBMEN1KMT2A
SCHEMBL3326401 0.91 SIGMAR1 (0.46) SIGMAR1TSHRTHRBMEN1KMT2A
SCHEMBL919513 0.90
SCHEMBL10444336 0.89 SIGMAR1 (0.49) SIGMAR1MEN1KMT2ANAAAEPHX1
SCHEMBL9737302 0.89 SIGMAR1 (0.49) SIGMAR1MEN1KMT2ANAAAEPHX1
SCHEMBL9214648 0.89 SIGMAR1 (0.49) SIGMAR1MEN1KMT2ANAAAEPHX1
SCHEMBL10501805 0.89 SIGMAR1 (0.49) SIGMAR1MEN1KMT2ANAAAEPHX1
SCHEMBL921655 0.88 SIGMAR1 (0.39) SIGMAR1TSHRTHRBMEN1KMT2A

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110201649-A1 AGRICULTURAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-18 US disclosed
EP-2345328-A1 COMPOSITION FOR AGRICULTURAL USE Sumitomo Chemical Company, Limited (JP) 2011-07-20 EP disclosed
US-7923573-B2 Benzene compound having 2 or more substituents DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-04-12 US disclosed
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-13 US disclosed
EP-2248423-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS Sumitomo Chemical Company, Limited (JP) 2010-11-10 EP disclosed
US-20100041694-A1 AGRICULTURAL COMPOSITION FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENIC MICROBES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-02-18 US disclosed
WO-2008126684-A2 AGRICULTURAL COMPOSITION FOR CONTROLLING OR PREVENTING PLANT DISEASES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-10-23 WO disclosed
US-20080255111-A1 Tissue Factor Production Inhibitor SANKYO COMPANY LIMITED (JP) 2008-10-16 US disclosed
US-20080004301-A1 Benzene Compound Having 2 or More Substituents DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-01-03 US disclosed
EP-1806332-A1 BENZENE COMPOUND HAVING 2 OR MORE SUBSTITUENTS Daiichi Sankyo Company, Limited (JP) 2007-07-11 EP disclosed
US-6380195-B1 INCLUDING (METHYLENEDIOXYPHENYL)CYCLOPENTENO(1,2-B)PYRIDINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-04-30 US disclosed
US-6239131-B1 WHICH HAVE GASTRIN AND/OR CCK-B (CHOLECYSTOKININ-B) RECEPTOR ANTAGONISM, USEFUL AS REMEDIES FOR GASTRIC ULCER AND GASTROINTESTINAL MOVEMENT DISORDER. ZERIA PHARMACEUTICAL CO., LTD. (JP) 2001-05-29 US disclosed
EP-0714897-B1 FUSED HETEROAROMATIC CYCLOPENTENE DERIVATIVE HAVING ENDOTHELIN-ANTAGONIST ACTIVITY BANYU PHARMA CO LTD (JP) 2001-02-14 EP disclosed
US-6087360-A TREATING PATIENTS WITH ENDOTHELIN RELATED DISORDERS BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-07-11 US disclosed
CN-1049219-C Fused heteroaromatic cyclopentene derivative having endothelin-antagonist activity BANYU PHARMA CO LTD (JP) 2000-02-09 CN disclosed
EP-0945445-A1 1,5-BENZODIAZEPINE DERIVATIVES ZERIA PHARMACEUTICAL CO., LTD. (JP) 1999-09-29 EP disclosed
US-5834483-A Method of treating heart failure with endothelin antagonists MERCK & CO., INC. (US) 1998-11-10 US disclosed
US-5714479-A TREATMENT OF HYPERTENSION, ACUTE RENAL FAILURE, ANGINA PECTORIS, ARTERIOSCLEROSIS, ASTHMA, GASTRIC ULCER AND SIMILAR AILMENTS BANYU PHARMACEUTICAL CO., LTD. (JP) 1998-02-03 US disclosed
CN-1129448-A Fused heteroaromatic cyclopentene derivative having endothelin-antagonist activity BANYU PHARMA CO LTD (JP) 1996-08-21 CN disclosed
EP-0714897-A1 FUSED HETEROAROMATIC CYCLOPENTENE DERIVATIVE HAVING ENDOTHELIN-ANTAGONIST ACTIVITY BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-06-05 EP 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 (5 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-20100041694-A1 AGRICULTURAL COMPOSITION FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENIC MICROBES HDHD5, NAAA, BROX SIGMAR1 4730/4885TSHR 4380/4885THRB 4006/4885
US-20080255111-A1 Tissue Factor Production Inhibitor PTAFR, PLAT, TFPI SIGMAR1 4028/4885TSHR 594/4885THRB 183/4885
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS WIZ, TST, NAT1 SIGMAR1 3827/4885TSHR 2588/4885THRB 1345/4885
US-20110201649-A1 AGRICULTURAL COMPOSITION H1-0, H1-3, H1-2 SIGMAR1 3290/4885TSHR 2777/4885THRB 2399/4885
US-20080004301-A1 Benzene Compound Having 2 or More Substituents NR1H2, NR1H3, NCOR2 SIGMAR1 706/4885TSHR 47/4885THRB 37/4885

“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.