SCHEMBL3518656

SCHEMBL3518656

CCOC(=O)CCCCCCOc1cc2c(Cl)ncnc2cc1OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 11/20 0.48
HDAC4 P56524 11/20 0.48
HDAC1 Q13547 11/20 0.48
HDAC7 Q8WUI4 11/20 0.48
HDAC2 Q92769 11/20 0.48
HDAC10 Q969S8 11/20 0.48
HDAC11 Q96DB2 11/20 0.48
HDAC8 Q9BY41 11/20 0.48
HDAC6 Q9UBN7 11/20 0.48
HDAC9 Q9UKV0 11/20 0.48
HDAC5 Q9UQL6 11/20 0.48
EGFR P00533 9/20 0.48
KDR P35968 7/20 0.48
ERBB2 P04626 3/20 0.48
ENPP1 P22413 2/20 0.47
TNF P01375 1/20 0.44

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
SCHEMBL3517589 1.00 HDAC3 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13903536 0.94 ENPP1 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3517486 0.89 HDAC3 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4329011 0.87 ENPP1 (0.63) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL641754 0.87 ENPP1 (0.63) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL641725 0.86 ENPP1 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4337599 0.86 ENPP1 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12518967 0.83 ENPP1 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3515899 0.83 IP6K1 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3516603 0.83 IP6K1 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2

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-2194787-A1 VEGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY Curis, Inc. (US) 2010-06-16 EP disclosed
WO-2009036055-A1 VEGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. (US) 2009-03-19 WO disclosed
US-20090076044-A1 VEGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. 2009-03-19 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-20090076044-A1 VEGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY KDR, HDAC1, FLT4 HDAC3 14/4885HDAC4 9/4885HDAC1 2/4885

“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.