SCHEMBL4533614

SCHEMBL4533614

O=C(NO)C(c1ccc(N2CCOCC2)cc1)c1ccccc1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.45
PRKDC P78527 2/20 0.43
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
PIK3CG P48736 1/20 0.43
MAPT P10636 4/20 0.42
HDAC8 Q9BY41 3/20 0.42
HDAC6 Q9UBN7 3/20 0.42
KMT2A Q03164 2/20 0.42
USP2 O75604 1/20 0.42
ESR1 P03372 1/20 0.42
NR4A1 P22736 1/20 0.42
PTK2B Q14289 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HDAC4 P56524 3/20 0.42
HDAC3 O15379 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC2 Q92769 2/20 0.42

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
SCHEMBL2838346 0.86 MAPT (0.45) ACP1MAPTHDAC8HDAC6KMT2A
SCHEMBL4531868 0.86 HDAC4 (0.56) HDAC8HDAC6HDAC4HDAC3HDAC1
SCHEMBL2841246 0.85 HDAC8 (0.60) ACP1MAPTHDAC8HDAC6KMT2A
SCHEMBL2842604 0.84 MAPT (0.56) MAPTKMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL2844453 0.84 KDM4E (0.49) ACP1PIK3CAPIK3CBMAPTHDAC8
SCHEMBL8117284 0.83 HDAC4 (0.46) HDAC8HDAC6HDAC4HDAC3HDAC1
SCHEMBL2843895 0.82 HDAC3 (0.55) ACP1MAPTHDAC8HDAC6KMT2A
SCHEMBL2840930 0.79 HDAC8 (0.64) MAPTHDAC8HDAC6KMT2AHDAC4
SCHEMBL2840180 0.79 NPC1 (0.54) MAPTHDAC8HDAC6KMT2AUSP2
SCHEMBL4538436 0.79 MAPT (0.47) ACP1PRKDCMAPTHDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2139850-B1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2018-09-12 EP claimed
EP-2139850-B1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2018-09-12 EP disclosed
US-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 US disclosed
US-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 US disclosed
US-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 US disclosed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 US disclosed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 US disclosed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 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-20090181943-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC11, HDAC3 ACP1 2808/4885PRKDC 3959/4885PIK3CD 4304/4885

“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.