SCHEMBL1455967

SCHEMBL1455967

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.47
HDAC1 Q13547 2/20 0.46
NAMPT P43490 2/20 0.43
KCNQ3 O43525 1/20 0.43
KCNQ2 O43526 1/20 0.43
KCNE1 P15382 1/20 0.43
KCNQ1 P51787 1/20 0.43
BRAF P15056 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP3A4 P08684 2/20 0.41
GRM5 P41594 1/20 0.41
KDM4E B2RXH2 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
SCHEMBL1455846 0.89 PTGS1 (0.52) MEN1POLBKMT2AHDAC1NAMPT
SCHEMBL1455443 0.89 RAB9A (0.52) MEN1POLBKMT2AHDAC1NAMPT
SCHEMBL1454630 0.89 RAB9A (0.47) MEN1POLBKMT2AHDAC1NAMPT
SCHEMBL1454973 0.86 ALDH1A1 (0.45) MEN1POLBKMT2ANAMPTKCNQ3
SCHEMBL1454986 0.82 NAMPT (0.47) MEN1KMT2AHDAC1NAMPTBRAF
SCHEMBL1454267 0.81 NPC1 (0.47) MEN1KMT2AHDAC1NAMPTBRAF
SCHEMBL1454431 0.81 TRPV1 (0.50) HDAC1NAMPTBRAFRAB9AKDM4E
SCHEMBL1453961 0.81 NAMPT (0.46) MEN1KMT2AHDAC1NAMPTBRAF
SCHEMBL1455064 0.80 PGR (0.43) HDAC1NAMPTKCNQ3KCNQ2KCNE1
SCHEMBL1454996 0.80 RAB9A (0.45) MEN1POLBKMT2AHDAC1NAMPT

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 3 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
US-20070232627-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US 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 MEN1 4571/4885POLB 442/4885KMT2A 3566/4885

“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.