SCHEMBL4292132

SCHEMBL4292132

Cc1cc2cc(Nc3ncnc4cc(OCCCN5CCCC5)c(OCCCCC(=O)NO)cc34)ccc2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 18/20 0.60
▸ HDAC4 P56524 18/20 0.60
▸ HDAC1 Q13547 18/20 0.60
▸ HDAC7 Q8WUI4 18/20 0.60
▸ HDAC2 Q92769 18/20 0.60
▸ HDAC10 Q969S8 18/20 0.60
▸ HDAC11 Q96DB2 18/20 0.60
▸ HDAC8 Q9BY41 18/20 0.60
▸ HDAC6 Q9UBN7 18/20 0.60
▸ HDAC9 Q9UKV0 18/20 0.60
▸ HDAC5 Q9UQL6 18/20 0.60
▸ KDR P35968 16/20 0.57
▸ EGFR P00533 4/20 0.54
▸ ERBB2 P04626 4/20 0.54

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
SCHEMBL4379465 0.88 EGFR (0.67) KDREGFRERBB2
Hydrochloric Acid SCHEMBL4380864 0.87 EGFR (0.66) KDREGFRERBB2
SCHEMBL3528799 0.86 HDAC3 (0.81) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3524373 0.85 HDAC3 (0.80) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3523389 0.85 HDAC3 (0.80) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4378822 0.83 KDR (0.70) KDREGFR
SCHEMBL13903552 0.82 HDAC3 (0.75) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4386211 0.82 EGFR (0.64) KDREGFRERBB2
SCHEMBL4374281 0.81 RET (0.61) KDREGFRERBB2
SCHEMBL4387083 0.81 SRC (0.72) KDREGFRERBB2

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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