SCHEMBL1455846

SCHEMBL1455846

CC(C)(C)OC(=O)Nc1ccc(Oc2ccc(C(=O)Nc3ccc(C(F)(F)F)cn3)cc2N)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.52
HDAC1 Q13547 1/20 0.47
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NAMPT P43490 1/20 0.43
BRD4 O60885 1/20 0.43
DEGS1 O15121 1/20 0.43
PTGES O14684 1/20 0.42
CDK8 P49336 1/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
KIT P10721 1/20 0.41
MAPK1 P28482 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
LIPE Q05469 1/20 0.41
RAF1 P04049 1/20 0.41
LMNA P02545 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL1455967 0.89 MEN1 (0.47) HDAC1KDM4ENAMPTMEN1POLB
SCHEMBL1454431 0.89 TRPV1 (0.50) PTGS1HDAC1MAPTKDM4ENAMPT
SCHEMBL1455443 0.88 RAB9A (0.52) HDAC1MAPTNAMPTMEN1POLB
SCHEMBL1454630 0.88 RAB9A (0.47) HDAC1MAPTKDM4ENAMPTMEN1
SCHEMBL1455847 0.86 ALDH1A1 (0.48) PTGS1MAPTBRD4MEN1POLB
SCHEMBL1455709 0.83 RXFP1 (0.54) PTGS1MAPTKDM4ECDK8MEN1
SCHEMBL1455972 0.81 HDAC3 (0.46) PTGS1MAPTKDM4ENAMPTMAPK1
SCHEMBL1454267 0.80 NPC1 (0.47) HDAC1MAPTKDM4ENAMPTMEN1
SCHEMBL1453961 0.79 NAMPT (0.46) HDAC1MAPTNAMPTMEN1KMT2A
SCHEMBL1454996 0.79 RAB9A (0.45) HDAC1MAPTNAMPTMEN1POLB

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 PTGS1 2132/4885HDAC1 1024/4885MAPT 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.