SCHEMBL2683572

SCHEMBL2683572

COCCCN1CCOc2ccc(CO[C@@H]3CN(S(=O)(=O)c4ccc(C)cc4)C[C@@H](O)[C@@H]3c3ccc(COC)cc3)cc21

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
CYP2C9 P11712 1/20 0.38
POLB P06746 4/20 0.37
REN P00797 1/20 0.36
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
LMNA P02545 4/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
GAA P10253 2/20 0.35
PKM P14618 5/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 4/20 0.34
TP53 P04637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RORC P51449 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL2683488 1.00 KMT2A (0.38) KMT2ACYP2C9POLBRENMAPT
SCHEMBL5291687 1.00 KMT2A (0.38) KMT2ACYP2C9POLBRENMAPT
SCHEMBL5276185 0.95 LMNA (0.38) KMT2ACYP2C9POLBRENMAPT
SCHEMBL2683091 0.95 LMNA (0.38) KMT2ACYP2C9POLBRENMAPT
SCHEMBL2682373 0.95 LMNA (0.38) KMT2ACYP2C9POLBRENMAPT
SCHEMBL5278364 0.95 CYP2C9 (0.39) KMT2ACYP2C9POLBRENMAPT
SCHEMBL2683168 0.95 KMT2A (0.38) KMT2ACYP2C9POLBRENMAPT
SCHEMBL2683301 0.95 CYP2C9 (0.39) KMT2ACYP2C9POLBRENMAPT
SCHEMBL3905637 0.94 PKM (0.39) KMT2ACYP2C9POLBRENMAPT
SCHEMBL2683569 0.93 POLB (0.36) KMT2ACYP2C9POLBRENMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115859-A1 3,4,5-SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS HEROLD PETER (CH) 2012-05-10 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 (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-20120115859-A1 3,4,5-SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS REN, AGTR1, AGTR2 KMT2A 3806/4885CYP2C9 976/4885POLB 2849/4885

“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.