SCHEMBL1106539

SCHEMBL1106539

[C-]#[N+]c1ccc(-c2cc(C(C)NC(=O)OC(C)(C)C)on2)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.38
HDAC3 O15379 3/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
AAK1 Q2M2I8 4/20 0.38
ACACB O00763 3/20 0.37
ACACA Q13085 3/20 0.37
KMT2A Q03164 2/20 0.37
CHRM1 P11229 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HDAC6 Q9UBN7 4/20 0.36
HDAC10 Q969S8 2/20 0.36
LIPG Q9Y5X9 1/20 0.35
MAPT P10636 1/20 0.35
ATM Q13315 1/20 0.35
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL10312616 1.00 HDAC1 (0.38) HDAC1HDAC3HDAC2HDAC8AAK1
SCHEMBL18306499 0.82 EGLN2 (0.42) AAK1ACACBACACAKMT2ACHRM1
SCHEMBL12590876 0.73 KMT2A (0.45) KMT2ATSHRHSD17B10LIPGMAPT
SCHEMBL2058770 0.73 KMT2A (0.45) KMT2ATSHRHSD17B10LIPGMAPT
SCHEMBL12844216 0.73 KMT2A (0.45) AAK1KMT2ATSHRHSD17B10MAPT
SCHEMBL4203152 0.73 KMT2A (0.45) KMT2ATSHRHSD17B10LIPGMAPT
SCHEMBL13199813 0.72 KMT2A (0.44) KMT2ATSHRHSD17B10MAPTATM
SCHEMBL1106538 0.71 S1PR1 (0.34) KMT2AATMMEN1
SCHEMBL12844671 0.70 TRPA1 (0.44) AAK1KMT2ATSHRHSD17B10MAPT
SCHEMBL12844672 0.70 KMT2A (0.42) KMT2ATSHRHSD17B10MAPTATM

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
US-8153670-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-10 US disclosed
US-20090298806-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-12-03 US disclosed
US-7521470-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-21 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-20090298806-A1 FACTOR XA INHIBITORS TFPI, F12, F11 HDAC1 471/4885HDAC3 345/4885HDAC2 812/4885

“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.