SCHEMBL2898484

SCHEMBL2898484

Cn1nnc(-c2ccc(Br)s2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.36
MAPT P10636 4/20 0.35
ALOX12 P18054 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HSD17B10 Q99714 2/20 0.35
ALOX15 P16050 1/20 0.35
RAB9A P51151 4/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
NPC1 O15118 3/20 0.35
NFKB1 P19838 2/20 0.35
NFKB2 Q00653 2/20 0.35
RELA Q04206 2/20 0.35
KDM4E B2RXH2 4/20 0.35
LMNA P02545 3/20 0.35
POLB P06746 3/20 0.35
PPARG P37231 2/20 0.35
NCOA2 Q15596 2/20 0.35
RXFP1 Q9HBX9 2/20 0.35
TRPM8 Q7Z2W7 1/20 0.35

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
SCHEMBL13637128 0.81 HSF1 (0.38) EPHX2MAPTHSD17B10RAB9ASMN1; SMN2
SCHEMBL8212044 0.79 ALDH1A1 (0.40) EPHX2MAPTMEN1KMT2AHSD17B10
SCHEMBL13947011 0.78 LMNA (0.49) SMN1; SMN2LMNATRPM8
SCHEMBL13863822 0.78 RAB9A (0.35) MAPTALOX12MEN1KMT2AHSD17B10
SCHEMBL10162476 0.76 PPARA (0.34) EPHX2MAPTMEN1KMT2ARAB9A
SCHEMBL15422384 0.74 MAPT (0.45) MAPTALOX12MEN1KMT2AHSD17B10
SCHEMBL23625618 0.73 ABCG2 (0.50) MAPTALOX12HSD17B10RAB9ASMN1; SMN2
SCHEMBL6156434 0.73 EPHX2 (0.33) EPHX2TRPM8PPARA
SCHEMBL10130594 0.72 NPC1 (0.33) EPHX2RAB9ASMN1; SMN2NPC1NFKB1
SCHEMBL6156613 0.72 TRPM8 (0.32) EPHX2TRPM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785377-B2 Tetrazolyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-07-22 US disclosed
US-20100286211-A1 OXAZOLIDINONE DERIVATIVES AS ANTIMICROBIALS RANBAXY LABORATORIES LIMITED (IN) 2010-11-11 US disclosed
US-20090035271-A1 TETRAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-02-05 US disclosed
WO-2008019289-A2 TETRAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2008-02-14 WO disclosed
EP-1799677-A1 OXAZOLIDINONE DERIVATIVES AS ANTIMICROBIALS Ranbaxy Laboratories Limited (IN) 2007-06-27 EP disclosed
WO-2006038100-A1 OXAZOLIDINONE DERIVATIVES AS ANTIMICROBIALS RANBAXY LABORATORIES LIMITED (IN) 2006-04-13 WO disclosed
US-20050267054-A1 Antibacterial compounds with improved pharmacokinetic profiles CLARK RICHARD F 2005-12-01 US disclosed
EP-1501845-A1 ANTIBACTERIAL COMPOUNDS WITH IMPROVED PHARMACOKINETIC PROFILES Abbott Laboratories (US) 2005-02-02 EP disclosed
EP-1501519-A1 9-OXIME MACROLIDE ANTIBACTERIALS Abbott Laboratories (US) 2005-02-02 EP disclosed
US-20040033970-A1 Antibacterial compounds with improved pharmacokinetic profiles ABBOTT LABORATORIES 2004-02-19 US disclosed
US-20040014691-A1 9-Oxime macrolide antibacterials ABBOTT LABORATORIES 2004-01-22 US disclosed
WO-2003093288-A1 ANTIBACTERIAL COMPOUNDS WITH IMPROVED PHARMACOKINETIC PROFILES ABBOTT LABORATORIES (US) 2003-11-13 WO disclosed
WO-2003090761-A1 9-OXIME MACROLIDE ANTIBACTERIALS ABBOTT LABORATORIES (US) 2003-11-06 WO disclosed
US-20030207820-A1 Antibacterial compounds with improved pharmacokinetic profiles ABBOTT LABORATORIES 2003-11-06 US 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 (6 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-20090035271-A1 TETRAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS TMPRSS4, PRSS1, SPINT2 EPHX2 1860/4885MAPT 3832/4885ALOX12 2874/4885
US-20050267054-A1 Antibacterial compounds with improved pharmacokinetic profiles ABCB11, SLC10A2, SI EPHX2 1648/4885MAPT 4130/4885ALOX12 1294/4885
US-20040014691-A1 9-Oxime macrolide antibacterials CYP2C9, CYP1B1, SULT1E1 EPHX2 1944/4885MAPT 4791/4885ALOX12 365/4885
US-20100286211-A1 OXAZOLIDINONE DERIVATIVES AS ANTIMICROBIALS OXA1L, PDK4, MLYCD EPHX2 4819/4885MAPT 2191/4885ALOX12 2299/4885
US-20030207820-A1 Antibacterial compounds with improved pharmacokinetic profiles UGT1A1, ABCB11, SLC10A1 EPHX2 2210/4885MAPT 4491/4885ALOX12 1307/4885
US-20040033970-A1 Antibacterial compounds with improved pharmacokinetic profiles UGT1A1, ABCB11, SLC10A1 EPHX2 2210/4885MAPT 4491/4885ALOX12 1307/4885

“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.