SCHEMBL17005349

SCHEMBL17005349

CC(=O)c1cn(COCc2ccccc2)c(OC(C)C)n1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.38
DGAT1 O75907 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAOB P27338 3/20 0.35
EGLN1 Q9GZT9 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPK1 P28482 1/20 0.33
ELANE P08246 1/20 0.33
XIAP P98170 1/20 0.33
MAOA P21397 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL17013166 0.73 L3MBTL1 (0.34) SMN1; SMN2
SCHEMBL17005386 0.69 ALDH1A1 (0.43) MCL1ALDH1A1MAOBTSHRHTT
SCHEMBL4024290 0.66 SMN1; SMN2 (0.47) ALDH1A1TSHRHTTSMN1; SMN2KDM4E
SCHEMBL17166094 0.65 TSHR (0.46) TSHRSMN1; SMN2
Hydrochloric Acid SCHEMBL7285811 0.64 CYP11B1 (0.43) ALDH1A1EGLN1TSHRMAPK1
SCHEMBL7413642 0.64 CTSL (0.40) ALDH1A1TSHRHTTSMN1; SMN2MAPK1
Acetic Acid SCHEMBL4466285 0.64 TSHR (0.71) ALDH1A1MAOBTSHRSMN1; SMN2MAPK1
Acetone SCHEMBL28740549 0.64 TSHR (0.71) ALDH1A1MAOBTSHRSMN1; SMN2MAPK1
Acetic Acid SCHEMBL28710458 0.64 TSHR (0.71) ALDH1A1MAOBTSHRSMN1; SMN2MAPK1
SCHEMBL5035686 0.64 MAOB (0.59) MCL1ALDH1A1MAOBHTTSMN1; SMN2

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
EP-2933248-B1 NOVEL RENIN INHIBITOR MITSUBISHI TANABE PHARMA CORP (JP) 2018-01-31 EP disclosed
US-9556159-B2 Renin inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-01-31 US disclosed
US-9556159-B2 Renin inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-01-31 US disclosed
US-9556159-B2 Renin inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-01-31 US disclosed
EP-2933248-A1 NOVEL RENIN INHIBITOR Mitsubishi Tanabe Pharma Corporation (JP) 2015-10-21 EP disclosed
US-20150232459-A1 NOVEL RENIN INHIBITOR SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2015-08-20 US disclosed
US-20150232459-A1 NOVEL RENIN INHIBITOR SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2015-08-20 US disclosed
US-20150232459-A1 NOVEL RENIN INHIBITOR SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2015-08-20 US 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-20150232459-A1 NOVEL RENIN INHIBITOR REN, AGTR1, ACE MCL1 4851/4885DGAT1 3750/4885ALDH1A1 2192/4885

“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.