SCHEMBL1456181

SCHEMBL1456181

COc1cccc(C(=O)Nc2ccc(Oc3ccc(NC(=O)OC(C)(C)C)cc3)c(N)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.58
PGR P06401 2/20 0.58
TP53 P04637 4/20 0.54
NPC1 O15118 5/20 0.53
RAB9A P51151 5/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
KDM4E B2RXH2 1/20 0.53
TSHR P16473 1/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
ALDH1A1 P00352 2/20 0.52
PKM P14618 1/20 0.52
HPGD P15428 1/20 0.52
MAPK1 P28482 1/20 0.52
KCNK3 O14649 1/20 0.50
KCNK9 Q9NPC2 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50

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
SCHEMBL1455609 0.90 RAB9A (0.55) TP53NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL1456027 0.89 KCNK3 (0.48) ARPGRTP53NPC1RAB9A
SCHEMBL1455377 0.89 KMT2A (0.54) ARPGRNPC1RAB9ASMN1; SMN2
SCHEMBL7078444 0.86 TP53 (0.70) ARTP53NPC1RAB9ASMN1; SMN2
SCHEMBL1455827 0.83 NAMPT (0.47) ARPGRTP53NPC1RAB9A
SCHEMBL1454986 0.83 NAMPT (0.47) NPC1RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL1455101 0.83 PNLIP (0.46) MEN1KMT2A
SCHEMBL1454267 0.83 NPC1 (0.47) TP53NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL1455709 0.82 RXFP1 (0.54) RAB9ASMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL1453961 0.82 NAMPT (0.46) TP53MEN1KMT2A

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 AR 3318/4885PGR 2427/4885TP53 465/4885

“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.