SCHEMBL17005386

SCHEMBL17005386

CC(C)Oc1nc(Br)c(Br)n1COCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
NPSR1 Q6W5P4 2/20 0.38
VCP P55072 1/20 0.37
TSHR P16473 2/20 0.37
MAPK1 P28482 3/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
USP2 O75604 1/20 0.33
CCR5 P51681 1/20 0.32
MCL1 Q07820 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
RAB9A P51151 1/20 0.32
HPGD P15428 2/20 0.31

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
SCHEMBL8536407 0.80 ALDH1A1 (0.46) ALDH1A1VCPTSHRMAPK1POLB
SCHEMBL8536161 0.79 ALDH1A1 (0.43) ALDH1A1VCPTSHRMAPK1POLB
SCHEMBL6928223 0.78 ALDH1A1 (0.45) ALDH1A1VCPTSHRMAPK1KMT2A
SCHEMBL8532701 0.75 ALDH1A1 (0.42) ALDH1A1VCPTSHRMAPK1KMT2A
SCHEMBL8537401 0.74 ALDH1A1 (0.44) ALDH1A1NPSR1TSHRMAPK1SMN1; SMN2
SCHEMBL9593156 0.74 PDE4A (0.43) ALDH1A1POLB
SCHEMBL23123912 0.73 DGAT1 (0.32)
SCHEMBL12562962 0.70 ALDH1A1 (0.46) ALDH1A1VCPTSHRKMT2ASMN1; SMN2
SCHEMBL26918839 0.69 MAOB (0.54) ALDH1A1TSHRMAPK1KMT2AMEN1
SCHEMBL17005349 0.69 MCL1 (0.38) ALDH1A1TSHRMAPK1SMN1; SMN2MCL1

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 ALDH1A1 2192/4885NPSR1 311/4885VCP 2124/4885

“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.