SCHEMBL5428495

SCHEMBL5428495

c1ccc(COc2cc3ccccc3s2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.50
AGXT P21549 1/20 0.47
CYP3A4 P08684 2/20 0.44
CYP2A6 P11509 2/20 0.43
ASIC3 Q9UHC3 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.43
BCL2L1 Q07817 1/20 0.42
STAT3 P40763 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
F9 P00740 2/20 0.41
F10 P00742 2/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
PTGS1 P23219 3/20 0.40
PTGS2 P35354 3/20 0.40
TSHR P16473 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
SLC6A2 P23975 1/20 0.40

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
SCHEMBL6551021 0.81 MAOB (0.53) ALOX5CYP3A4F9F10MAOA
SCHEMBL7918749 0.78 F9 (0.43) ALOX5AGXTSTAT3HTTSMN1; SMN2
SCHEMBL5719122 0.77 AGXT (0.46) AGXTCYP2A6ASIC3LOXL2BCL2L1
SCHEMBL20563717 0.74 CYP2A6 (0.43) AGXTCYP2A6ASIC3LOXL2BCL2L1
SCHEMBL17394561 0.73 AGXT (0.48) AGXTCYP2A6ASIC3LOXL2BCL2L1
SCHEMBL27664686 0.73 ALOX5 (0.57) ALOX5CYP3A4F9F10MAOA
SCHEMBL30385553 0.71 AGXT (0.47) AGXTCYP2A6ASIC3LOXL2BCL2L1
SCHEMBL27656876 0.71 BCL2L1 (0.46) AGXTCYP2A6ASIC3LOXL2BCL2L1
SCHEMBL29065456 0.70 BCL2L1 (0.58) BCL2L1LMNASLC6A2SLC6A3HDAC6
SCHEMBL28621711 0.70 TLR8 (0.46) AGXTCYP3A4CYP2A6ASIC3LOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476455-B2 1-N-phenyl-amino-1h-imidazole derivatives and pharmaceutical compositions containing them LABORATOIRE THERAMEX (MC) 2013-07-02 US disclosed
US-7271264-B2 Pentacyclic oxepines and derivatives thereof, compositions and methods ELI LILLY AND COMPANY (US) 2007-09-18 US disclosed
US-20070112009-A1 1-N-phenyl-amino-1h-imidazole derivatives and pharmaceutical compositions containing them LABORATOIRE THERAMEX (MC) 2007-05-17 US disclosed
EP-1551822-B1 PENTACYCLIC OXEPINES AND DERIVATIVES THEREOF, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LILLY CO ELI (US) 2006-12-20 EP disclosed
EP-1694650-A1 1-N-PHENYL-AMINO-1H-IMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LABORATOIRE THERAMEX (MC) 2006-08-30 EP disclosed
US-20050261277-A1 Pentacyclic oxepines and derivatives thereof, compositions and methods ELI LILLY AND COMPANY 2005-11-24 US disclosed
EP-1551822-A2 PENTACYCLIC OXEPINES AND DERIVATIVES THEREOF, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ELI LILLY AND COMPANY (US) 2005-07-13 EP disclosed
WO-2005058842-A1 1-N-PHENYL-AMINO-1H-IMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LABORATOIRE THERAMEX (MC) 2005-06-30 WO disclosed
EP-0863755-B1 ANTITHROMBOTIC DIAMINES LILLY CO ELI (US) 2004-12-15 EP disclosed
WO-2004009578-A2 PENTACYCLIC OXEPINES AND DERIVATIVES THEREOF, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ELI LILLY AND COMPANY (US) 2004-01-29 WO disclosed
US-6265575-B1 THROMBIN INHIBITORS ELI LILLY AND COMPANY 2001-07-24 US disclosed
US-6251921-B1 ADMINISTERING THROMBIN INHIBITING DIAMINE COMPOUND TO MAMMAL ELI LILLY AND COMPANY 2001-06-26 US disclosed
US-6025382-A Antithrombotic diamines ELI LILLY AND COMPANY (US) 2000-02-15 US disclosed
EP-0863755-A4 ANTITHROMBOTIC DIAMINES LILLY CO ELI (US) 1999-01-20 EP disclosed
EP-0863755-A1 ANTITHROMBOTIC DIAMINES ELI LILLY AND COMPANY (US) 1998-09-16 EP disclosed
WO-1997025033-A1 ANTITHROMBOTIC DIAMINES ELI LILLY AND COMPANY (US) 1997-07-17 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-20050261277-A1 Pentacyclic oxepines and derivatives thereof, compositions and methods NR5A1, NR3C2, OXER1 ALOX5 237/4885AGXT 4552/4885CYP3A4 1132/4885
US-20070112009-A1 1-N-phenyl-amino-1h-imidazole derivatives and pharmaceutical compositions containing them H1-0, H1-5, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 ALOX5 3744/4885AGXT 3133/4885CYP3A4 37/4885

“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.