SCHEMBL4537852

SCHEMBL4537852

O=C(NO)C(c1ccc(N2CCOCC2)cc1)c1cccc(OC(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 2/20 0.46
CASR P41180 1/20 0.45
PIK3CA P42336 1/20 0.43
MAPT P10636 3/20 0.42
GAA P10253 1/20 0.42
GPR139 Q6DWJ6 1/20 0.42
AKT1 P31749 1/20 0.42
CETP P11597 1/20 0.42
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
DYRK1A Q13627 1/20 0.41
NOTUM Q6P988 1/20 0.40
ACACB O00763 1/20 0.40
CNR2 P34972 1/20 0.40
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39

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
SCHEMBL2843825 0.86 MMP2 (0.48) MAPTGAAKMT2A
SCHEMBL4535846 0.84 MMP2 (0.48) CASRMAPTGAAHDAC4HDAC7
SCHEMBL2841130 0.82 HDAC4 (0.64) MAPTHDAC4HDAC7HDAC5ACP1
SCHEMBL4538436 0.81 MAPT (0.47) PRKDCMAPTHDAC4HDAC7HDAC5
SCHEMBL2841246 0.81 HDAC8 (0.60) MAPTHDAC4HDAC7HDAC5ACP1
SCHEMBL2841750 0.80 MAPT (0.48) MAPTHDAC4HDAC7HDAC5CTSL
SCHEMBL4538504 0.78 HIF1A (0.47) MAPTKMT2A
SCHEMBL4532008 0.78 CASR (0.43) CASRMAPTHDAC4HDAC7HDAC5
SCHEMBL2843895 0.77 HDAC3 (0.55) MAPTHDAC4HDAC7HDAC5CTSL
SCHEMBL4541618 0.77 MAPT (0.54) MAPTGAAHDAC4HDAC7HDAC5

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 PRKDC 3959/4885CASR 4568/4885PIK3CA 3951/4885

“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.