SCHEMBL341063

SCHEMBL341063

CC(C)OC(=O)c1nc(Br)c(Cc2ccc(F)cc2)c(Br)c1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.46
ALDH1A1 P00352 4/20 0.34
HPGD P15428 2/20 0.34
HDAC6 Q9UBN7 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 4/20 0.33
KMT2A Q03164 2/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
MAPT P10636 4/20 0.33
HDAC1 Q13547 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 1/20 0.32
ALOX12 P18054 1/20 0.32
CCR6 P51684 1/20 0.32
HKDC1 Q2TB90 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL12358975 0.88 TSHR (0.40) NPSR1ALDH1A1HPGDHDAC6SMN1; SMN2
SCHEMBL347028 0.80 NPSR1 (0.46) NPSR1ALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL12358989 0.79 NPSR1 (0.40) NPSR1HDAC6
SCHEMBL349940 0.79 NPSR1 (0.40) NPSR1ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL12359007 0.75 NPSR1 (0.37) NPSR1
SCHEMBL342061 0.74 NPSR1 (0.36) NPSR1
SCHEMBL12358962 0.74 TSHR (0.39) NPSR1ALDH1A1HDAC6SMN1; SMN2LMNA
SCHEMBL12358979 0.73 NPSR1 (0.35) NPSR1
SCHEMBL12306126 0.71 NPSR1 (0.47) NPSR1ALDH1A1HPGDLMNAKMT2A
SCHEMBL338481 0.71 NPSR1 (0.47) NPSR1SMN1; SMN2LMNAKMT2ACYP4F2

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-2321319-B1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES INC (US) 2012-03-14 EP disclosed
US-7998950-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2011-08-16 US disclosed
US-7998950-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2011-08-16 US disclosed
WO-2010011959-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-01-28 WO disclosed
US-20100022508-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-01-28 US disclosed
US-20100022508-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-01-28 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-20100022508-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 NPSR1 4462/4885ALDH1A1 3957/4885HPGD 3745/4885

“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.