SCHEMBL4561865

SCHEMBL4561865

NC(=O)C(OCCCc1ccccc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.57
CNR1 P21554 3/20 0.48
IDO1 P14902 1/20 0.47
EPHX1 P07099 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
RECQL P46063 2/20 0.44
FFAR1 O14842 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HDAC3 O15379 1/20 0.43
MAPK1 P28482 1/20 0.43
ADRA1A P35348 1/20 0.43
HDAC4 P56524 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 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
SCHEMBL4561509 0.90 EPHX1 (0.49) LMNAEPHX1SMN1; SMN2RECQLFFAR1
SCHEMBL28013771 0.87 LMNA (0.51) LMNACNR1IDO1SMN1; SMN2RECQL
SCHEMBL7556093 0.84 GLS (0.43) LMNAEPHX1SMN1; SMN2MAPK1SLC6A3
SCHEMBL10698580 0.81 LMNA (0.48) LMNASMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL6740564 0.80 KMT2A (0.51) EPHX1SMN1; SMN2RECQLNPC1RAB9A
SCHEMBL21644503 0.80 GLS (0.48) LMNAEPHX1SMN1; SMN2RECQLMAPK1
SCHEMBL8938105 0.80 SMN1; SMN2 (0.43) LMNAIDO1EPHX1SMN1; SMN2MAPK1
SCHEMBL9716936 0.80 NPC1 (0.49) LMNASMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL20538944 0.79 LMNA (0.43) LMNAEPHX1SMN1; SMN2
SCHEMBL8938140 0.78 DRD4 (0.46) LMNAEPHX1ADRA1ASIGMAR1

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-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

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 LMNA 424/4885CNR1 3389/4885IDO1 313/4885

“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.