SCHEMBL6901202

SCHEMBL6901202

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

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 3/20 0.49
POLB P06746 1/20 0.48
BDKRB2 P30411 1/20 0.46
ALDH1A1 P00352 1/20 0.45
MMP9 P14780 1/20 0.44
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KLK7 P49862 1/20 0.43
KLK5 Q9Y337 1/20 0.43
HTR2C P28335 1/20 0.43
PREP P48147 1/20 0.42

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
SCHEMBL6281354 0.91 AGTR2 (0.56) AGTR2POLBBDKRB2PSEN1PSEN2
SCHEMBL6515997 0.91 AGTR2 (0.56) AGTR2POLBBDKRB2PSEN1PSEN2
SCHEMBL29921 0.91 AGTR2 (0.56) AGTR2POLBBDKRB2PSEN1PSEN2
SCHEMBL15241314 0.91 AGTR2 (0.56) AGTR2POLBBDKRB2PSEN1PSEN2
SCHEMBL13613077 0.86 HTR2C (0.46) AGTR2POLBBDKRB2ALDH1A1PSEN1
SCHEMBL27652358 0.86 HTR2C (0.46) AGTR2POLBBDKRB2ALDH1A1PSEN1
SCHEMBL13613076 0.86 POLB (0.48) AGTR2POLBBDKRB2ALDH1A1NPC1
SCHEMBL12234850 0.85 POLB (0.48) AGTR2POLBALDH1A1PSEN1PSEN2
SCHEMBL29302473 0.83 POLB (0.54) POLBALDH1A1PSEN1PSEN2APH1B
SCHEMBL29302751 0.83 POLB (0.54) POLBALDH1A1PSEN1PSEN2APH1B

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-20130231373-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES NOVARTIS AG (CH) 2013-09-05 US 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 1423/4885POLB 2195/4885BDKRB2 2170/4885
US-20110060009-A1 Hydroxamate-Based Inhibitors of Deacetylases HDAC1, HDAC11, HDAC3 AGTR2 1646/4885POLB 2226/4885BDKRB2 2206/4885

“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.