SCHEMBL3445321

SCHEMBL3445321

Nc1ccccc1NC(=O)/C=C/c1ccc(C=NOCCN2CCOCC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 11/20 0.71
HDAC2 Q92769 5/20 0.71
HDAC3 O15379 3/20 0.71
HDAC4 P56524 3/20 0.71
HDAC7 Q8WUI4 2/20 0.71
HDAC10 Q969S8 2/20 0.71
HDAC11 Q96DB2 2/20 0.71
HDAC8 Q9BY41 2/20 0.71
HDAC6 Q9UBN7 2/20 0.71
HDAC9 Q9UKV0 2/20 0.71
HDAC5 Q9UQL6 2/20 0.71
MEF2D Q14814 1/20 0.48
RAB9A P51151 1/20 0.46
LMNA P02545 2/20 0.44
KDM1A O60341 1/20 0.44
MAOA P21397 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HSP90AA1 P07900 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL3445327 1.00 HDAC1 (0.71) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL3445320 1.00 HDAC1 (0.71) HDAC1HDAC2HDAC3HDAC4HDAC7
Hydrochloric Acid SCHEMBL3444932 0.99 HDAC1 (0.70) HDAC1HDAC2HDAC3HDAC4HDAC7
Hydrochloric Acid SCHEMBL3444939 0.99 HDAC1 (0.70) HDAC1HDAC2HDAC3HDAC4HDAC7
Hydrochloric Acid SCHEMBL3444930 0.99 HDAC1 (0.70) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL3445139 0.84 HDAC1 (1.00) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL3445136 0.84 HDAC1 (1.00) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL3445133 0.84 HDAC1 (1.00) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL3446555 0.80 HDAC1 (0.70) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL3446549 0.80 HDAC1 (0.70) HDAC1HDAC2HDAC3HDAC4HDAC7

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 2 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 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 493/4885HDAC2 534/4885HDAC3 894/4885

“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.