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Rifapentine

Rifapentine

SCHEMBL20769769

CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C6CCCC6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C.CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C6CCCC6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

rpoArpoBrpoCrpoZ

The experimentally established mechanism targets of Rifapentine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 1.00
▸ ABCB11 O95342 4/20 1.00
▸ ABCC4 O15439 3/20 1.00
▸ ABCC2 Q92887 3/20 1.00
▸ GAA P10253 3/20 1.00
▸ MAPK1 P28482 3/20 1.00
▸ PTGS1 P23219 3/20 1.00
▸ KDM4E B2RXH2 2/20 1.00
▸ MEN1 O00255 2/20 1.00
▸ KMT2A Q03164 2/20 1.00
▸ TDP1 Q9NUW8 2/20 1.00
▸ ABCC3 O15438 2/20 1.00
▸ AR P10275 1/20 1.00
▸ KCNH2 Q12809 1/20 1.00
▸ CHRM1 P11229 3/20 0.87
▸ ALDH1A1 P00352 2/20 0.87
▸ NR1I2 O75469 2/20 0.87
▸ SLCO2B1 O94956 2/20 0.87
▸ TBXA2R P21731 2/20 0.87
▸ ADRA1A P35348 2/20 0.87

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
Rifapentine SCHEMBL29448246 1.00 MAPT (1.00) MAPTABCB11ABCC4ABCC2GAA
Rifapentine SCHEMBL29913543 1.00 MAPT (1.00) MAPTABCB11ABCC4ABCC2GAA
Rifapentine SCHEMBL29359039 1.00 MAPT (1.00) MAPTABCB11ABCC4ABCC2GAA
Rifapentine SCHEMBL18842901 1.00 MAPT (1.00) MAPTABCB11ABCC4ABCC2GAA
Rifapentine SCHEMBL20032589 1.00 MAPT (1.00) MAPTABCB11ABCC4ABCC2GAA
Rifapentine SCHEMBL41591 1.00 MAPT (1.00) MAPTABCB11ABCC4ABCC2GAA
Rifapentine SCHEMBL41590 1.00 MAPT (1.00) MAPTABCB11ABCC4ABCC2GAA
Rifapentine SCHEMBL20033121 1.00 MAPT (1.00) MAPTABCB11ABCC4ABCC2GAA
Rifapentine SCHEMBL15472877 1.00 MAPT (1.00) MAPTABCB11ABCC4ABCC2GAA
Rifapentine SCHEMBL25876809 1.00 MAPT (1.00) MAPTABCB11ABCC4ABCC2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3675838-A1 LYMPHATIC SYSTEM-DIRECTING LIPID PRODRUGS Puretecch LYT, Inc. (US) 2020-07-08 — — EP disclosed
WO-2019046491-A1 LYMPHATIC SYSTEM-DIRECTING LIPID PRODRUGS ARIYA THERAPEUTICS, INC. (US) 2019-03-07 — — WO disclosed