SCHEMBL1455067

SCHEMBL1455067

Nc1cc(C(=O)Nc2cncc(Br)c2)ccc1Sc1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.42
KMT2A Q03164 5/20 0.37
MEN1 O00255 4/20 0.37
MAPT P10636 4/20 0.37
MAPK1 P28482 3/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
HDAC1 Q13547 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
HTT P42858 3/20 0.36
TSHR P16473 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HDAC4 P56524 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ROCK2 O75116 1/20 0.36
GAA P10253 1/20 0.36
ALOX12 P18054 1/20 0.36
ROCK1 Q13464 1/20 0.36
KDR P35968 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
SCHEMBL1455931 0.91 EPHX2 (0.42) EPHX2KMT2AMAPTMAPK1KDM4E
SCHEMBL1455456 0.88 MAPT (0.42) EPHX2KMT2AMEN1MAPTALDH1A1
SCHEMBL1455409 0.87 NPC1 (0.42) EPHX2KMT2AMEN1MAPTKDM4E
SCHEMBL1454542 0.84 MEN1 (0.43) EPHX2KMT2AMEN1MAPTKDM4E
SCHEMBL1454596 0.83 EPHX2 (0.50) EPHX2KMT2AMEN1MAPTKDM4E
SCHEMBL1454905 0.83 EPHX2 (0.45) EPHX2KMT2A
SCHEMBL1455410 0.82 F10 (0.42) EPHX2KMT2AMEN1MAPTKDM4E
SCHEMBL1454290 0.81 EPHX2 (0.41) EPHX2KMT2AMAPTMAPK1KDM4E
SCHEMBL1455074 0.80 EPHX2 (0.39) EPHX2KMT2AMAPTMAPK1KDM4E
SCHEMBL1455529 0.79 MAPT (0.42) EPHX2KMT2AMEN1MAPTKDM4E

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 3223/4885KMT2A 3566/4885MEN1 4571/4885

“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.