SCHEMBL1454597

SCHEMBL1454597

Nc1cc(NC(=O)c2ccc(F)cc2)ccc1Sc1ccc(NC(=O)OCC(Cl)(Cl)Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
MAPT P10636 4/20 0.49
KDM4E B2RXH2 3/20 0.49
HPGD P15428 3/20 0.49
KCNQ3 O43525 3/20 0.48
KCNQ2 O43526 3/20 0.48
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MITF O75030 1/20 0.42
PTPN1 P18031 1/20 0.40
L3MBTL1 Q9Y468 4/20 0.40
LMNA P02545 2/20 0.40
HDAC1 Q13547 2/20 0.40
BRAF P15056 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ATM Q13315 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39

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
SCHEMBL1455037 0.86 MAPT (0.43) ALDH1A1MAPTKDM4EHPGDKCNQ3
SCHEMBL1454826 0.86 TP53 (0.53) ALDH1A1MAPTKDM4EHPGDKCNQ3
SCHEMBL1455558 0.85 MAPT (0.43) ALDH1A1MAPTKDM4EHPGDKCNQ3
SCHEMBL1455802 0.85 KCNQ3 (0.45) ALDH1A1MAPTKDM4EKCNQ3KCNQ2
SCHEMBL1453591 0.85 KCNQ3 (0.47) ALDH1A1MAPTKDM4EHPGDKCNQ3
SCHEMBL1454828 0.84 MAPT (0.50) ALDH1A1MAPTKDM4EHPGDKCNQ3
SCHEMBL1454861 0.81 MAPT (0.46) ALDH1A1MAPTKDM4EHPGDKCNQ3
SCHEMBL1455484 0.80 ALDH1A1 (0.57) ALDH1A1MAPTKDM4EHPGDKCNQ3
SCHEMBL1455260 0.80 PTGS1 (0.48) ALDH1A1MAPTKDM4EHPGDKCNQ3
SCHEMBL1455784 0.79 MAPT (0.41) ALDH1A1MAPTKDM4EHPGDKCNQ3

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 ALDH1A1 2723/4885MAPT 1347/4885KDM4E 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.