SCHEMBL4536641

SCHEMBL4536641

O=C(NO)C(c1ccc(N2CCOCC2)cc1)c1c(F)cccc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
HDAC4 P56524 5/20 0.43
HDAC8 Q9BY41 3/20 0.43
HDAC6 Q9UBN7 3/20 0.43
HDAC7 Q8WUI4 3/20 0.43
HDAC5 Q9UQL6 3/20 0.43
HDAC3 O15379 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC9 Q9UKV0 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ACP1 P24666 1/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
KMO O15229 1/20 0.40
AKR1C3 P42330 1/20 0.40
KMT2A Q03164 2/20 0.40

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
SCHEMBL8117284 0.88 HDAC4 (0.46) HDAC4HDAC8HDAC6HDAC7HDAC5
SCHEMBL4531868 0.86 HDAC4 (0.56) HDAC4HDAC8HDAC6HDAC7HDAC5
SCHEMBL2840930 0.84 HDAC8 (0.64) MAPTHDAC4HDAC8HDAC6HDAC7
SCHEMBL2841130 0.83 HDAC4 (0.64) MAPTHDAC4HDAC8HDAC6HDAC7
SCHEMBL2841246 0.83 HDAC8 (0.60) MAPTHDAC4HDAC8HDAC6HDAC7
SCHEMBL2843895 0.80 HDAC3 (0.55) MAPTHDAC4HDAC8HDAC6HDAC7
SCHEMBL2840180 0.79 NPC1 (0.54) MAPTHDAC8HDAC6NPC1RAB9A
SCHEMBL4538436 0.79 MAPT (0.47) MAPTHDAC4HDAC8HDAC6HDAC7
SCHEMBL2841750 0.78 MAPT (0.48) MAPTHDAC4HDAC8HDAC6HDAC7
SCHEMBL4535846 0.78 MMP2 (0.48) MAPTHDAC4HDAC7HDAC5ALDH1A1

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 MAPT 1533/4885HDAC4 10/4885HDAC8 11/4885

“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.