SCHEMBL4534552

SCHEMBL4534552

O=C(O)C(c1ccccc1)C1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.65
NPC1 O15118 2/20 0.65
RAB9A P51151 2/20 0.65
CYP2C19 P33261 1/20 0.62
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56
GRIN2B Q13224 9/20 0.53
HTT P42858 1/20 0.53
CYP2D6 P10635 4/20 0.52
CYP2C9 P11712 4/20 0.52
CYP3A4 P08684 3/20 0.49
ENPP2 Q13822 1/20 0.48

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
SCHEMBL2861277 0.89 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL4536120 0.88 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL2792760 0.87 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL6347651 0.86 SMN1; SMN2 (0.68) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL450915 0.86 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL2793000 0.86 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL450914 0.86 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL27451239 0.85 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL9865798 0.84 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL15991264 0.84 SMN1; SMN2 (0.68) SMN1; SMN2NPC1RAB9ACYP2C19MEN1

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 7 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 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 SMN1; SMN2 3638/4885NPC1 803/4885RAB9A 2699/4885

“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.