SCHEMBL13903552

SCHEMBL13903552

Cc1cc2c(F)c(Nc3ncnc4cc(OCCCN5CCCC5)c(OCCC(=O)NO)cc34)ccc2[nH]1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 6/20 0.75
▸ HDAC4 P56524 6/20 0.75
▸ HDAC1 Q13547 6/20 0.75
▸ HDAC7 Q8WUI4 6/20 0.75
▸ HDAC2 Q92769 6/20 0.75
▸ HDAC10 Q969S8 6/20 0.75
▸ HDAC11 Q96DB2 6/20 0.75
▸ HDAC8 Q9BY41 6/20 0.75
▸ HDAC6 Q9UBN7 6/20 0.75
▸ HDAC9 Q9UKV0 6/20 0.75
▸ HDAC5 Q9UQL6 6/20 0.75
▸ KDR P35968 10/20 0.59
▸ EGFR P00533 5/20 0.59
▸ FGFR1 P11362 4/20 0.59
▸ FLT1 P17948 4/20 0.59
▸ RET P07949 4/20 0.59
▸ FLT4 P35916 3/20 0.59
▸ PLK4 O00444 1/20 0.59
▸ GAK O14976 1/20 0.59
▸ EPHB6 O15197 1/20 0.59

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
SCHEMBL3528799 0.96 HDAC3 (0.81) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3523389 0.96 HDAC3 (0.80) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3524373 0.96 HDAC3 (0.80) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13903549 0.91 HDAC3 (0.63) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3522763 0.90 HDAC3 (0.70) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13903527 0.89 HDAC3 (0.91) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3526331 0.88 HDAC3 (0.65) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3524360 0.88 HDAC3 (0.65) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13903544 0.87 KDR (0.78) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3522134 0.86 HDAC3 (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.

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