SCHEMBL17005394

SCHEMBL17005394

CON(C)C(=O)c1cc(Br)nc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.43
GPBAR1 Q8TDU6 15/20 0.39
NOTUM Q6P988 1/20 0.36
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
TACR1 P25103 1/20 0.34

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
SCHEMBL8282923 0.85 MLYCD (0.41) MLYCD
SCHEMBL3652937 0.77 MLYCD (0.55) MLYCDGPBAR1NOTUMTACR1
SCHEMBL14355588 0.77 NOTUM (0.63) MLYCDGPBAR1NOTUMTACR1
SCHEMBL30016477 0.75 MLYCD (0.48) MLYCDGPBAR1HDAC4
SCHEMBL15648032 0.75 MLYCD (0.48) MLYCDGPBAR1HDAC4
SCHEMBL17005467 0.75 ALOX15 (0.41) RXRARXRB
SCHEMBL30753555 0.72 MLYCD (0.38) MLYCDGPBAR1RXRARXRBHDAC4
SCHEMBL27077105 0.72 MLYCD (0.38) MLYCDGPBAR1RXRARXRBHDAC4
SCHEMBL17005437 0.72 MLYCD (0.35) MLYCDGPBAR1RXRARXRBHDAC4
SCHEMBL17013184 0.72 MLYCD (0.35) MLYCDGPBAR1HDAC4HDAC6

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 MLYCD 4230/4885GPBAR1 848/4885NOTUM 792/4885

“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.