SCHEMBL1455071

SCHEMBL1455071

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 6/20 0.53
MAPT P10636 3/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
MEN1 O00255 1/20 0.53
LMNA P02545 1/20 0.53
KMT2A Q03164 1/20 0.53
XBP1 P17861 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TRPV1 Q8NER1 3/20 0.47
RORC P51449 1/20 0.46
ESR1 P03372 1/20 0.46
MCHR1 Q99705 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44

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 0.92 NQO2 (0.50) MAPTNPC1RAB9AMEN1LMNA
SCHEMBL811386 0.89 PTGS1 (0.59) PTGS1MAPTRAB9AMEN1LMNA
SCHEMBL1455484 0.88 ALDH1A1 (0.57) MAPTNPC1RAB9AMEN1LMNA
SCHEMBL1455121 0.86 MAPT (0.57) MAPTNPC1RAB9AMEN1LMNA
SCHEMBL1454120 0.86 TP53 (0.51) MAPTNPC1RAB9AMEN1LMNA
SCHEMBL1454847 0.85 DEGS1 (0.49) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL1455435 0.85 AVPR2 (0.47) PTGS1MAPTMEN1LMNAKMT2A
SCHEMBL1454472 0.85 CACNA1B (0.48) MAPTMEN1LMNAKMT2ANPSR1
SCHEMBL1455907 0.83 KDM4E (0.48) MAPTNPC1RAB9AMEN1LMNA
SCHEMBL1454704 0.83 NPC1 (0.53) MAPTNPC1RAB9AMEN1LMNA

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 PTGS1 2132/4885MAPT 1347/4885NPC1 37/4885

“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.