SCHEMBL597335

SCHEMBL597335

CC(C)c1nc(C(Cc2ccncc2)OC(=O)O)[nH]c1Sc1cc(Cl)cc(Cl)c1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GSK3B P49841 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP19A1 P11511 1/20 0.30

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
SCHEMBL7080940 0.92 MEN1 (0.31) MEN1MAPTKMT2AALDH1A1KDM4E
SCHEMBL3453582 0.91 CDC7 (0.32) MEN1MAPTKMT2AALDH1A1KDM4E
SCHEMBL6160994 0.91 KDM4E (0.32) MEN1MAPTKMT2ACNR1CNR2
SCHEMBL6167207 0.88 GPR142 (0.31) ALDH1A1KDM4ELMNAHTTL3MBTL1
SCHEMBL6970653 0.86
SCHEMBL6973846 0.86
Carbamic Acid SCHEMBL4573817 0.85 CDC7 (0.33) ALDH1A1GSK3BCYP3A4
SCHEMBL5623524 0.85 ALDH1A1 (0.30) ALDH1A1KDM4ELMNAHTTL3MBTL1
SCHEMBL6160664 0.85 TSHR (0.33) ALDH1A1CYP3A4
SCHEMBL6973238 0.85 CYP1A2 (0.33) GSK3BCYP3A4

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 259 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 MEN1 4084/4885MAPT 1185/4885KMT2A 3756/4885
US-11234981-B2 Combination therapy for use in treating retroviral infections PAICS, HAVCR2, THPO MEN1 2913/4885MAPT 1442/4885KMT2A 2946/4885
US-10889566-B2 Derivatives and composition of quinoline and naphthyridine MCL1, TOP1, NQO2 MEN1 524/4885MAPT 1916/4885KMT2A 2110/4885
US-20220110938-A1 Combination Therapy for Use in Treating Retroviral Infections PAICS, HAVCR2, THPO MEN1 2913/4885MAPT 1442/4885KMT2A 2946/4885
US-20200223820-A1 DERIVATIVES AND COMPOSITION OF QUINOLINE AND NAPHTHYRIDINE C1R, CBR3, CBR1 MEN1 2930/4885MAPT 4555/4885KMT2A 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.