SCHEMBL1455859

SCHEMBL1455859

Nc1cc(NC(=O)c2ccc(F)cc2F)ccc1Sc1ccc(O)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SNCA P37840 2/20 0.50
HDAC1 Q13547 2/20 0.49
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 2/20 0.46
HPGD P15428 1/20 0.46
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
AVPR2 P30518 1/20 0.42
GPR27 Q9NS67 1/20 0.42
GAA P10253 1/20 0.42
KCNQ3 O43525 1/20 0.42
KCNQ2 O43526 1/20 0.42
BACE1 P56817 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
FADS1 O60427 1/20 0.40
PYGL P06737 1/20 0.39
LMNA P02545 1/20 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
SCHEMBL1455505 0.91 FADS1 (0.46) SNCAHDAC1ALDH1A1MAPTKDM4E
SCHEMBL1455648 0.87 MEN1 (0.52) MAPTHPGDNPC1RAB9ATDP1
SCHEMBL1455484 0.85 ALDH1A1 (0.57) SNCAHDAC1ALDH1A1MAPTKDM4E
SCHEMBL1454230 0.83 FADS1 (0.43) ALDH1A1MAPTKDM4EHPGDNPC1
SCHEMBL1455907 0.82 KDM4E (0.48) SNCAALDH1A1MAPTKDM4EHPGD
SCHEMBL1455344 0.80 NQO2 (0.50) SNCAALDH1A1MAPTKDM4EHPGD
SCHEMBL1454371 0.80 ALDH1A1 (0.60) SNCAALDH1A1MAPTKDM4EHPGD
SCHEMBL1197032 0.79 HDAC1 (0.61) SNCAHDAC1ALDH1A1MAPTKDM4E
SCHEMBL1456028 0.78 PTGS1 (0.56) GAALMNA
SCHEMBL1455198 0.78 KCNK3 (0.55) ALDH1A1MAPTKDM4EHPGDNPC1

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 SNCA 1351/4885HDAC1 1024/4885ALDH1A1 2723/4885

“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.