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SCHEMBL597334

SCHEMBL597334

CC(C)c1nc(COC(=O)OCc2nc(C(C)C)c(Sc3cc(Cl)cc(Cl)c3)n2Cc2ccncc2)n(Cc2ccncc2)c1Sc1cc(Cl)cc(Cl)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 6/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ PIM1 P11309 1/20 0.32
▸ PIM3 Q86V86 1/20 0.32
▸ GRM5 P41594 2/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ MAPT P10636 1/20 0.31
▸ ENPP2 Q13822 1/20 0.31
▸ SLC16A3 O15427 1/20 0.31
▸ HSP90B1 P14625 1/20 0.31
▸ TRAP1 Q12931 1/20 0.31
▸ CDC7 O00311 1/20 0.31
▸ DBF4 Q9UBU7 1/20 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
SCHEMBL5852655 0.93 P2RX3 (0.33) P2RX3MEN1KMT2AL3MBTL1KDM4E
Capravirine SCHEMBL4656686 0.92 PIM1 (0.35) P2RX3MEN1KMT2AL3MBTL1KDM4E
Capravirine SCHEMBL40347 0.92 PIM1 (0.35) P2RX3MEN1KMT2AL3MBTL1KDM4E
SCHEMBL6161001 0.92 ENPP2 (0.35) P2RX3MEN1KMT2AL3MBTL1KDM4E
SCHEMBL6167205 0.91 ENPP2 (0.34) P2RX3MEN1KMT2AL3MBTL1KDM4E
SCHEMBL6961504 0.91 ENPP2 (0.35) P2RX3MEN1KMT2AL3MBTL1KDM4E
SCHEMBL7084120 0.88 KCNH2 (0.34) MEN1KMT2ALMNAKCNH2TDP1
SCHEMBL5028484 0.88 HTR2A (0.43) ALDH1A1LMNAMAPTENPP2
SCHEMBL6965855 0.88 ENPP2 (0.33) P2RX3ENPP2
SCHEMBL6973843 0.87 TLR8 (0.32) P2RX3MEN1KMT2AGRM5

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 258 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011077100-A1 ANTIRETROVIRAL COMPOSITION CIPLA LIMITED (IN) 2011-06-30 — — WO claimed
US-20110105477-A1 COMPOSITIONS AND METHODS RELATING TO HIV PROTEASE INHIBITION THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-05-05 — — US claimed
WO-2009036341-A2 COMPOSITIONS AND METHODS RELATING TO HIV PROTEASE INHIBITION THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-03-19 — — WO claimed
US-11938166-B2 Methods and compositions for treating mucosal tissue disorders THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2024-03-26 — — US disclosed
EP-3676252-B1 DERIVATIVES AND COMPOSITION OF QUINOLINE AND NAPHTHYRIDINE CHULABHORN FOUND (TH) 2023-11-29 — — EP disclosed
US-20220143129-A1 METHODS AND COMPOSITIONS FOR TREATING MUCOSAL TISSUE DISORDERS UNIV NORTH CAROLINA CHAPEL HILL (US) 2022-05-12 — — US disclosed
US-20220110938-A1 Combination Therapy for Use in Treating Retroviral Infections CIPLA LIMITED (IN) 2022-04-14 — — US disclosed
US-11234981-B2 Combination therapy for use in treating retroviral infections CIPLA LIMITED (IN) 2022-02-01 — — US disclosed
US-11058743-B2 Methods and compositions for treating mucosal tissue disorders THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2021-07-13 — — US disclosed
US-10889566-B2 Derivatives and composition of quinoline and naphthyridine CHULABHORN FOUNDATION (TH) 2021-01-12 — — US disclosed
US-20200223820-A1 DERIVATIVES AND COMPOSITION OF QUINOLINE AND NAPHTHYRIDINE CHULABHORN FOUNDATION (TH) 2020-07-16 — — US disclosed
EP-1175224-A2 PEGYLATED INTERFERON ALFA-CCR5 ANTAGONIST COMBINATION HIV THERAPY SCHERING CORPORATION (US) 2002-01-30 — — EP disclosed
EP-1175402-A1 PIPERIDINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS SCHERING CORPORATION (US) 2002-01-30 — — EP disclosed
US-20020004584-A1 HIV immune adjuvant therapy LAUGHLIN MARK A (US) 2002-01-10 — — US disclosed
WO-2001066132-A2 HIV IMMUNE ADJUVANT THERAPY SCHERING CORPORATION (US) 2001-09-13 — — WO disclosed
WO-2000066141-A2 PEGYLATED INTERFERON ALFA-CCR5 ANTAGONIST COMBINATION HIV THERAPY SCHERING CORPORATION (US) 2000-11-09 — — WO disclosed
WO-2000066558-A1 PIPERAZINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS SCHERING CORPORATION (US) 2000-11-09 — — WO disclosed
WO-2000066559-A1 PIPERIDINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS SCHERING CORPORATION (US) 2000-11-09 — — WO disclosed
EP-1034790-A2 HIV therapy SCHERING CORPORATION (US) 2000-09-13 — — EP disclosed
WO-2000051631-A2 PEGYLATED ALPHA INTERFERON FOR HIV THERAPY SCHERING CORPORATION (US) 2000-09-08 — — 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 (5 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-20110105477-A1 COMPOSITIONS AND METHODS RELATING TO HIV PROTEASE INHIBITION PREP, HPN, PEPD P2RX3 3008/4885MEN1 4084/4885KMT2A 3756/4885
US-11234981-B2 Combination therapy for use in treating retroviral infections PAICS, HAVCR2, THPO P2RX3 2984/4885MEN1 2913/4885KMT2A 2946/4885
US-10889566-B2 Derivatives and composition of quinoline and naphthyridine MCL1, TOP1, NQO2 P2RX3 3643/4885MEN1 524/4885KMT2A 2110/4885
US-20220110938-A1 Combination Therapy for Use in Treating Retroviral Infections PAICS, HAVCR2, THPO P2RX3 2984/4885MEN1 2913/4885KMT2A 2946/4885
US-20200223820-A1 DERIVATIVES AND COMPOSITION OF QUINOLINE AND NAPHTHYRIDINE C1R, CBR3, CBR1 P2RX3 438/4885MEN1 2930/4885KMT2A 2761/4885

“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.