SCHEMBL29921

SCHEMBL29921

O=C(O)[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 8/20 0.56
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
POLB P06746 1/20 0.47
BDKRB2 P30411 1/20 0.47
PSEN1 P49768 1/20 0.45
PSEN2 P49810 1/20 0.45
APH1B Q8WW43 1/20 0.45
NCSTN Q92542 1/20 0.45
APH1A Q96BI3 1/20 0.45
PSENEN Q9NZ42 1/20 0.45
KLK7 P49862 1/20 0.44
KLK5 Q9Y337 1/20 0.44

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
SCHEMBL6515997 1.00 AGTR2 (0.56) AGTR2NPC1RAB9ASMN1; SMN2POLB
SCHEMBL6281354 1.00 AGTR2 (0.56) AGTR2NPC1RAB9ASMN1; SMN2POLB
SCHEMBL15241314 1.00 AGTR2 (0.56) AGTR2NPC1RAB9ASMN1; SMN2POLB
SCHEMBL17755338 0.91 AGTR2 (0.47) AGTR2NPC1RAB9ASMN1; SMN2POLB
SCHEMBL6941068 0.91 AGTR2 (0.47) AGTR2NPC1RAB9ASMN1; SMN2POLB
SCHEMBL20446568 0.91 AGTR2 (0.47) AGTR2NPC1RAB9ASMN1; SMN2POLB
SCHEMBL5765292 0.91 AGTR2 (0.47) AGTR2NPC1RAB9ASMN1; SMN2POLB
SCHEMBL6901202 0.91 AGTR2 (0.49) AGTR2NPC1RAB9ASMN1; SMN2POLB
SCHEMBL116041 0.91 AGTR2 (0.48) AGTR2POLBBDKRB2
SCHEMBL20681649 0.90 AGTR2 (0.47) AGTR2NPC1RAB9ASMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130231373-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES NOVARTIS AG (CH) 2013-09-05 US disclosed
EP-2609078-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES Novartis AG (CH) 2013-07-03 EP disclosed
WO-2012025164-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES NOVARTIS AG (CH) 2012-03-01 WO disclosed
US-20110060009-A1 Hydroxamate-Based Inhibitors of Deacetylases NOVARTIS AG 2011-03-10 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 (2 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-20130231373-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES HDAC1, HDAC11, HDAC3 AGTR2 1423/4885NPC1 684/4885RAB9A 2819/4885
US-20110060009-A1 Hydroxamate-Based Inhibitors of Deacetylases HDAC1, HDAC11, HDAC3 AGTR2 1646/4885NPC1 650/4885RAB9A 2841/4885

“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.