SCHEMBL3445136

SCHEMBL3445136

O=C(/C=C/c1ccc(C=NOCCN2CCOCC2)cc1)NO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 1.00
HDAC8 Q9BY41 13/20 1.00
HDAC6 Q9UBN7 10/20 1.00
HDAC3 O15379 6/20 1.00
HDAC4 P56524 6/20 1.00
HDAC7 Q8WUI4 6/20 1.00
HDAC2 Q92769 6/20 1.00
HDAC10 Q969S8 6/20 1.00
HDAC11 Q96DB2 6/20 1.00
HDAC9 Q9UKV0 6/20 1.00
HDAC5 Q9UQL6 6/20 1.00
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 2/20 0.48
HSP90AA1 P07900 1/20 0.46
LMNA P02545 2/20 0.46
MAPK1 P28482 1/20 0.46
HPGD P15428 1/20 0.45

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
SCHEMBL3445139 1.00 HDAC1 (1.00) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL3445133 1.00 HDAC1 (1.00) HDAC1HDAC8HDAC6HDAC3HDAC4
Hydrochloric Acid SCHEMBL3446430 0.89 HDAC1 (0.80) HDAC1HDAC8HDAC6HDAC3HDAC4
Hydrochloric Acid SCHEMBL3446429 0.89 HDAC1 (0.80) HDAC1HDAC8HDAC6HDAC3HDAC4
Hydrochloric Acid SCHEMBL3446426 0.89 HDAC1 (0.80) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL3444589 0.88 HDAC3 (0.79) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL3444587 0.88 HDAC3 (0.79) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL3444584 0.88 HDAC3 (0.79) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL3445327 0.84 HDAC1 (0.71) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL3445321 0.84 HDAC1 (0.71) HDAC1HDAC8HDAC6HDAC3HDAC4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7816386-B2 Cinnamic, phenylpropiolic and phenylpropanoic acid derivatives useful as anti-tumor agents SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2010-10-19 US claimed
US-20080194659-A1 Cinnamic, Phenylpropiolic and Phenylpropanoic Acid Derivatives Useful as Anti-Tumor Agents SIGMA-TAU FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-08-14 US claimed
EP-1893561-A1 CINNAMIC, PHENYLPROPIOLIC AND PHENYLPROPANOIC ACID DERIVATIVES USEFUL AS ANTI-TUMOUR AGENTS SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) 2008-03-05 EP claimed
WO-2006131482-A1 CINNAMIC, PHENYLPROPIOLIC AND PHENYLPROPANOIC ACID DERIVATIVES USEFUL AS ANTI-TUMOUR AGENTS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2006-12-14 WO claimed
US-7816386-B2 Cinnamic, phenylpropiolic and phenylpropanoic acid derivatives useful as anti-tumor agents SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2010-10-19 US disclosed
US-20080194659-A1 Cinnamic, Phenylpropiolic and Phenylpropanoic Acid Derivatives Useful as Anti-Tumor Agents SIGMA-TAU FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-08-14 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-20080194659-A1 Cinnamic, Phenylpropiolic and Phenylpropanoic Acid Derivatives Useful as Anti-Tumor Agents ABCC1, VHL, ABCB1 HDAC1 493/4885HDAC8 845/4885HDAC6 1707/4885

“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.