SCHEMBL10040554

SCHEMBL10040554

Cc1ccc(OC(=O)N2CCC(c3nnc(-c4ccc(F)cc4)o3)CC2)c(C)n1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
TNKS O95271 4/20 0.45
PARP1 P09874 3/20 0.45
PARP2 Q9UGN5 2/20 0.45
TP53 P04637 4/20 0.43
HDAC3 O15379 1/20 0.41
CYP2C9 P11712 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
TNKS2 Q9H2K2 1/20 0.40
GPR4 P46093 1/20 0.40
GRM5 P41594 1/20 0.39
SMO Q99835 1/20 0.39
POLB P06746 1/20 0.39
HSD11B1 P28845 1/20 0.39

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
SCHEMBL10040553 0.87 MAPT (0.51) MAPTTNKSPARP1PARP2TP53
SCHEMBL10040557 0.83 LMNA (0.55) MAPTGRM5SMOPOLBHSD11B1
SCHEMBL10040552 0.83 MAPT (0.53) MAPTTNKSPARP1PARP2TP53
SCHEMBL10040564 0.83 USP7 (0.46) GRM5SMOHSD11B1
SCHEMBL1653095 0.79 SMN1; SMN2 (0.56) MAPTTNKSPARP1PARP2HDAC3
SCHEMBL10040545 0.79 TP53 (0.48) MAPTTNKSPARP1PARP2TP53
SCHEMBL10070549 0.77 KIT (0.44) TP53TLR8TLR7HSD11B1
SCHEMBL14637530 0.77 MAPT (0.55) MAPTTNKSPARP1PARP2TP53
SCHEMBL1653169 0.76 MAPT (0.52) MAPTTNKSPARP1PARP2TP53
SCHEMBL14834375 0.75 MAPT (0.50) MAPTTNKSPARP1PARP2HDAC3

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
US-8207199-B2 Azole compound ASTELLAS PHARMA INC. (JP) 2012-06-26 US disclosed
US-8207199-B2 Azole compound ASTELLAS PHARMA INC. (JP) 2012-06-26 US disclosed
US-20110118311-A1 AZOLE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-05-19 US disclosed
US-20110118311-A1 AZOLE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-05-19 US disclosed
WO-2010007966-A1 AZOLE COMPOUND アステラス製薬株式会社 (JP) 2010-01-21 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-20110118311-A1 AZOLE COMPOUND FAAH, FAAH2, TRPV1 MAPT 2507/4885TNKS 753/4885PARP1 3227/4885

“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.