SCHEMBL1453591

SCHEMBL1453591

Nc1cc(C(=O)Nc2ccc(F)cn2)ccc1Sc1ccc(NC(=O)OCC(Cl)(Cl)Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 3/20 0.47
KCNQ2 O43526 3/20 0.47
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 3/20 0.44
HPGD P15428 3/20 0.44
NAMPT P43490 1/20 0.41
LMNA P02545 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
CXCR2 P25025 3/20 0.38
EPHX2 P34913 2/20 0.38
CYP3A4 P08684 2/20 0.37
GRM5 P41594 1/20 0.37
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL1455260 0.90 PTGS1 (0.48) KCNQ3KCNQ2KDM4EALDH1A1MAPT
SCHEMBL1455664 0.90 NPC1 (0.43) KCNQ3KCNQ2KDM4EALDH1A1MAPT
SCHEMBL1455151 0.90 MAPT (0.45) KCNQ3KCNQ2KDM4EALDH1A1MAPT
SCHEMBL1455762 0.87 MAPT (0.46) KCNQ3KCNQ2KDM4EALDH1A1MAPT
SCHEMBL1454597 0.85 ALDH1A1 (0.49) KCNQ3KCNQ2KDM4EALDH1A1MAPT
SCHEMBL1454826 0.83 TP53 (0.53) KCNQ3KCNQ2KDM4EALDH1A1MAPT
SCHEMBL1455558 0.82 MAPT (0.43) KCNQ3KCNQ2KDM4EALDH1A1MAPT
SCHEMBL1455037 0.81 MAPT (0.43) KCNQ3KCNQ2KDM4EALDH1A1MAPT
SCHEMBL1454828 0.79 MAPT (0.50) KCNQ3KCNQ2KDM4EALDH1A1MAPT
SCHEMBL1454516 0.79 KDM4E (0.42) KCNQ3KCNQ2KDM4EALDH1A1MAPT

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 KCNQ3 4388/4885KCNQ2 4546/4885KDM4E 1822/4885

“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.