SCHEMBL2846955

SCHEMBL2846955

CCOc1cc(-c2c(F)cccc2Br)cc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 2/20 0.47
▸ RXRB P28702 2/20 0.47
▸ RXRG P48443 2/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ TLR8 Q9NR97 1/20 0.38
▸ TLR7 Q9NYK1 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.36
▸ MAPT P10636 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ NPY1R P25929 1/20 0.36
▸ LMNA P02545 2/20 0.35
▸ ATM Q13315 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ NPC1 O15118 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
SCHEMBL3571311 0.81 BRD4 (0.49) RXRARXRBMAPTGAAKDM4E
SCHEMBL3560166 0.74 IKBKB (0.43) MAPK1MAPTNPC1RAB9ABRD4
SCHEMBL12128793 0.72 RXRA (0.53) RXRARXRBRXRGL3MBTL1MAPK1
SCHEMBL2845729 0.71 CYP1A1 (0.48) L3MBTL1ALDH1A1MAPTMEN1KMT2A
SCHEMBL25435867 0.71 NOTUM (0.47) RXRARXRBRXRGL3MBTL1MAPK1
SCHEMBL4300118 0.70 L3MBTL1 (0.53) L3MBTL1MAPTGAALMNANPSR1
SCHEMBL5953372 0.69 L3MBTL1 (0.71) L3MBTL1MAPK1ALDH1A1MAPTGAA
SCHEMBL19427312 0.69 RXRA (0.48) RXRARXRBRXRGL3MBTL1MAPK1
SCHEMBL3560562 0.68 DHODH (0.40) —
SCHEMBL2847105 0.67 DYRK1A (0.45) MAPTGAAMEN1KMT2ANPC1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007117482-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 — — WO claimed
US-20100130471-A1 Renin Inhibitors SMITHKLINE BEECHAM CORPORATION 2010-05-27 — — US disclosed
US-20090275581-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2009-11-05 — — US disclosed
EP-2010488-A2 RENIN INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2009-01-07 — — EP disclosed
WO-2008124582-A1 RENIN INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-10-16 — — WO disclosed
WO-2007117559-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 — — WO disclosed
WO-2007117482-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 — — 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 (2 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-20090275581-A1 RENIN INHIBITORS REN, ACE, SERPINB1 RXRA 2569/4885RXRB 2354/4885RXRG 2708/4885
US-20100130471-A1 Renin Inhibitors ACE, REN, DNPEP RXRA 2264/4885RXRB 2192/4885RXRG 2214/4885

“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.

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