SCHEMBL5226443

SCHEMBL5226443

Nc1ccccc1NC(=O)c1ccc(C2=CCNCC2)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ESR1 P03372 3/20 0.42
ESRRG P62508 3/20 0.42
HDAC3 O15379 8/20 0.41
HDAC2 Q92769 7/20 0.41
HDAC1 Q13547 4/20 0.41
MAPK1 P28482 1/20 0.41
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 1/20 0.39
NCOR1 O75376 1/20 0.38
ESR2 Q92731 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HDAC4 P56524 2/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC10 Q969S8 2/20 0.38
HDAC11 Q96DB2 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38

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
SCHEMBL6206105 0.81 NAMPT (0.40) HDAC1NAMPT
SCHEMBL24671113 0.79 TP53 (0.49) TP53SMN1; SMN2ESR1ESRRGHDAC3
SCHEMBL29803912 0.79 TP53 (0.49) TP53SMN1; SMN2ESR1ESRRGHDAC3
SCHEMBL24669946 0.79 TP53 (0.42) TP53SMN1; SMN2ESR1ESRRGESR2
SCHEMBL29803733 0.79 MAPKAPK2 (0.52) TP53SMN1; SMN2ESR1ESRRGNPC1
Hydrochloric Acid SCHEMBL2827994 0.78 HDAC1 (0.54) HDAC3HDAC2HDAC1MAPK1HDAC4
SCHEMBL24670348 0.76 TP53 (0.46) TP53SMN1; SMN2ESR1ESRRGNPC1
Hydrochloric Acid SCHEMBL29803461 0.76 TP53 (0.46) TP53SMN1; SMN2ESR1ESRRGNPC1
SCHEMBL24671415 0.75 MAPKAPK2 (0.42) TP53SMN1; SMN2ESR1ESRRGNPC1
SCHEMBL24671298 0.75 ESRRG (0.43) TP53ESR1ESRRGMAPTESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501508-B1 INHIBITORS OF HISTONE DEACETYLASE ASTRAZENECA AB (SE) 2007-02-21 EP disclosed
US-20050222410-A1 Inhibitors of histone deacetylase ASTRAZENECA AB (SE) 2005-10-06 US disclosed
CN-1662236-A Inhibitors of histone deacetylase ASTRAZENECA AB (SE) 2005-08-31 CN disclosed
EP-1501508-A1 INHIBITORS OF HISTONE DEACETYLASE Astrazeneca AB (SE) 2005-02-02 EP disclosed
WO-2003092686-A1 INHIBITORS OF HISTONE DEACETYLASE ASTRAZENECA AB (SE) 2003-11-13 WO 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-20050222410-A1 Inhibitors of histone deacetylase HDAC1, HDAC3, HDAC11 TP53 2225/4885SMN1; SMN2 3288/4885ESR1 4741/4885

“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.