SCHEMBL1454516

SCHEMBL1454516

Nc1cc(C(=O)Nc2nncs2)ccc1Sc1ccc(NC(=O)OCC(Cl)(Cl)Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 7/20 0.38
HPGD P15428 5/20 0.38
LMNA P02545 4/20 0.38
MAPT P10636 4/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 4/20 0.37
MAPK1 P28482 2/20 0.37
ALOX15 P16050 1/20 0.37
RAB9A P51151 1/20 0.36
KCNQ3 O43525 1/20 0.36
KCNQ2 O43526 1/20 0.36
AQP4 P55087 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35
TP53 P04637 1/20 0.35
MAPK14 Q16539 1/20 0.35
MEN1 O00255 2/20 0.34

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
SCHEMBL1455791 0.87 MEN1 (0.42) KDM4EALDH1A1HPGDLMNAMAPT
SCHEMBL1454615 0.85 KDM4E (0.43) KDM4EALDH1A1HPGDLMNAMAPT
SCHEMBL1455533 0.84 KDM4E (0.47) KDM4EALDH1A1HPGDLMNAMAPT
SCHEMBL1455558 0.83 MAPT (0.43) KDM4EALDH1A1HPGDLMNAMAPT
SCHEMBL1454861 0.79 MAPT (0.46) KDM4EALDH1A1HPGDLMNAMAPT
SCHEMBL1455664 0.79 NPC1 (0.43) KDM4EALDH1A1HPGDLMNAMAPT
SCHEMBL1455151 0.79 MAPT (0.45) KDM4EALDH1A1HPGDLMNAMAPT
SCHEMBL1453591 0.79 KCNQ3 (0.47) KDM4EALDH1A1HPGDLMNAMAPT
SCHEMBL1454597 0.78 ALDH1A1 (0.49) KDM4EALDH1A1HPGDLMNAMAPT
SCHEMBL1455037 0.78 MAPT (0.43) KDM4EALDH1A1HPGDLMNAMAPT

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 KDM4E 1822/4885ALDH1A1 2723/4885HPGD 3704/4885

“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.