SCHEMBL657957

SCHEMBL657957

CCOC(=O)CCN(C(=O)Cc1ccc(C)cc1)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.66
CNR2 P34972 2/20 0.56
TP53 P04637 1/20 0.50
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
NCOR2 Q9Y618 1/20 0.49
LTA4H P09960 2/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
CNR1 P21554 1/20 0.46
ALOX5 P09917 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 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
SCHEMBL657395 0.91 SMN1; SMN2 (0.61) SMN1; SMN2CNR2TP53HDAC3HDAC4
SCHEMBL657674 0.86 CNR2 (0.58) SMN1; SMN2CNR2TP53HDAC3HDAC4
SCHEMBL657503 0.85 SMN1; SMN2 (0.57) SMN1; SMN2CNR2TP53LTA4HKMT2A
SCHEMBL13386233 0.84 CNR2 (0.63) SMN1; SMN2CNR2TP53HDAC3HDAC4
SCHEMBL656732 0.84 CNR2 (0.58) SMN1; SMN2CNR2CNR1L3MBTL1CYP4F2
SCHEMBL21821644 0.83 SMN1; SMN2 (0.73) SMN1; SMN2TP53LTA4HKMT2AMEN1
SCHEMBL6230938 0.83 SMN1; SMN2 (0.64) SMN1; SMN2CNR2TP53LTA4HKMT2A
SCHEMBL28400515 0.82 SMN1; SMN2 (0.71) SMN1; SMN2TP53LTA4HKMT2AMEN1
SCHEMBL20347975 0.81 REN (0.58) SMN1; SMN2CNR2HDAC3HDAC4HDAC1
SCHEMBL10752510 0.81 SMN1; SMN2 (0.69) SMN1; SMN2TP53LTA4HKMT2AMEN1

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
EP-2349999-B1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIV SAARLAND (DE) 2016-01-27 EP disclosed
US-8912186-B2 Allosteric protein kinase modulators UNIVERSITAET DES SAARLANDES (DE) 2014-12-16 US disclosed
US-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2012-02-23 US disclosed
EP-2177510-A1 Allosteric protein kinase modulators Universität des Saarlandes (DE) 2010-04-21 EP 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-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS AURKC, AURKA, AURKB SMN1; SMN2 4389/4885CNR2 4264/4885TP53 417/4885

“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.