SCHEMBL1455484

SCHEMBL1455484

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
KDM4E B2RXH2 2/20 0.57
MAPT P10636 2/20 0.57
HPGD P15428 2/20 0.57
KCNQ3 O43525 1/20 0.52
KCNQ2 O43526 1/20 0.52
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 1/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
SNCA P37840 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
GLA P06280 1/20 0.47
PTPN1 P18031 1/20 0.47
KCNK3 O14649 1/20 0.46
KCNK9 Q9NPC2 1/20 0.46
HDAC1 Q13547 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL1455344 0.94 NQO2 (0.50) ALDH1A1KDM4EMAPTHPGDKCNQ3
SCHEMBL1454371 0.93 ALDH1A1 (0.60) ALDH1A1KDM4EMAPTHPGDKCNQ3
SCHEMBL1455907 0.90 KDM4E (0.48) ALDH1A1KDM4EMAPTHPGDKCNQ3
SCHEMBL1455071 0.88 PTGS1 (0.53) ALDH1A1KDM4EMAPTHPGDNPC1
SCHEMBL1454120 0.88 TP53 (0.51) ALDH1A1KDM4EMAPTHPGDNPC1
SCHEMBL1455121 0.88 MAPT (0.57) ALDH1A1KDM4EMAPTHPGDKCNQ3
SCHEMBL1454847 0.88 DEGS1 (0.49) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL1454472 0.87 CACNA1B (0.48) ALDH1A1KDM4EMAPTHPGDMEN1
SCHEMBL1455527 0.85 KCNK3 (0.49) ALDH1A1KDM4EMAPTHPGDNPC1
SCHEMBL1454704 0.85 NPC1 (0.53) ALDH1A1KDM4EMAPTHPGDNPC1

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 6 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
CN-101384591-A Antiviral compounds ABBOTT LAB (US) 2009-03-11 CN 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 2723/4885KDM4E 1822/4885MAPT 1347/4885

“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.