SCHEMBL1454596

SCHEMBL1454596

Nc1cc(C(=O)Nc2cccc(F)c2)ccc1Sc1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.50
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
HPGD P15428 3/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
KCNQ3 O43525 1/20 0.38
KCNQ2 O43526 1/20 0.38
KCNK3 O14649 1/20 0.38
KDM1A O60341 1/20 0.37
MAOA P21397 1/20 0.37
KDM1B Q8NB78 1/20 0.37
RCOR1 Q9UKL0 1/20 0.37
MAPK14 Q16539 2/20 0.37
HDAC1 Q13547 1/20 0.36
NAMPT P43490 1/20 0.36
CASP3 P42574 1/20 0.36

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
SCHEMBL1455931 0.90 EPHX2 (0.42) EPHX2KMT2AHPGDMAPTKDM4E
SCHEMBL1455067 0.83 EPHX2 (0.42) EPHX2NPC1RAB9AKMT2AMEN1
SCHEMBL1454542 0.83 MEN1 (0.43) EPHX2NPC1RAB9AKMT2AMEN1
SCHEMBL1454290 0.81 EPHX2 (0.41) EPHX2KMT2AHPGDMAPTKDM4E
SCHEMBL1455410 0.81 F10 (0.42) EPHX2NPC1RAB9AKMT2AMEN1
SCHEMBL1455409 0.81 NPC1 (0.42) EPHX2NPC1RAB9AKMT2AMEN1
SCHEMBL1455606 0.81 TAS1R3 (0.40) EPHX2NPC1RAB9AKMT2AMEN1
SCHEMBL1455419 0.81 EPHX2 (0.40) EPHX2KMT2AHPGDMAPTKDM4E
SCHEMBL1455074 0.79 EPHX2 (0.39) EPHX2KMT2AHPGDMAPTKDM4E
SCHEMBL1454905 0.78 EPHX2 (0.45) EPHX2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1979348-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-01-18 EP disclosed
US-7910595-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-22 US disclosed
EP-1979348-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 EP disclosed
US-20070232627-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US disclosed
WO-2007076034-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-05 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 (1 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-20070232627-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 EPHX2 3223/4885NPC1 37/4885RAB9A 571/4885

“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.