SCHEMBL13073178

SCHEMBL13073178

O=C1C=CC(=O)N1C(=O)c1ccc(C(OCCO)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.40
TK2 O00142 8/20 0.39
DUT P33316 2/20 0.37
SLC6A1 P30531 3/20 0.37
GAA P10253 1/20 0.35
CYP2C9 P11712 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
TK1 P04183 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
PPARG P37231 1/20 0.34
SLC6A11 P48066 1/20 0.34
P2RX4 Q99571 1/20 0.34

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
SCHEMBL13073176 0.93 DUT (0.42) KIF11TK2DUTSLC6A1GAA
SCHEMBL13073477 0.89 GAA (0.39) TK2GAA
SCHEMBL13073639 0.86 SLC6A1 (0.46) SLC6A1GAASLC6A11
SCHEMBL13073177 0.84 TK2 (0.42) KIF11TK2DUTSLC6A1TK1
SCHEMBL13073622 0.82 P2RX4 (0.38) KIF11ALOX15P2RX4
SCHEMBL1764168 0.81 BCL2 (0.39) GAA
SCHEMBL13039332 0.81 CES1 (0.41) TSHRHDAC6P2RX4
SCHEMBL13073644 0.81 TK2 (0.41) TK2DUTTSHRHDAC6
SCHEMBL13073642 0.80 P2RX7 (0.39) TK2SLC6A1TSHRHDAC6
SCHEMBL2491921 0.76 KIF11 (0.63) KIF11TK2DUTSLC6A1GAA

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-9034798-B2 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions CAPROTEC BIOANALYTICS GMBH (DE) 2015-05-19 US disclosed
US-20100298168-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions HK PHARMACEUTICALS, INC. 2010-11-25 US disclosed
US-20100248264-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions HK PHARMACEUTICALS, INC. 2010-09-30 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-20100298168-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions CHLSN, PTMS, SRMS KIF11 2903/4885TK2 4082/4885DUT 2296/4885

“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.