SCHEMBL20063889

SCHEMBL20063889

Cc1ccc(C2=CCC(NC(=O)OC(C)(C)C)[C@@H](N=C=O)C2)cc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.35
MAOB P27338 2/20 0.34
MAOA P21397 1/20 0.34
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
EPHX2 P34913 1/20 0.32
BCL2 P10415 1/20 0.30
BECN1 Q14457 1/20 0.30
BRD4 O60885 1/20 0.30
CREBBP Q92793 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL20063865 1.00 KDM1A (0.35) KDM1AMAOBMAOANFKB1NFKB2
SCHEMBL20072838 0.89 HDAC4 (0.39) KDM1AMAOBMAOANFKB1NFKB2
SCHEMBL21306759 0.88 KAT6A (0.36) KDM1AMAOBMAOANFKB1NFKB2
SCHEMBL20063687 0.83 NFKB1 (0.38) KDM1AMAOBMAOANFKB1NFKB2
SCHEMBL21838571 0.83 CTSB (0.36) KDM1AMAOBMAOANFKB1NFKB2
SCHEMBL20063878 0.81 KDM1A (0.39) KDM1AMAOBMAOANFKB1NFKB2
SCHEMBL20063868 0.81 KDM1A (0.39) KDM1AMAOBMAOANFKB1NFKB2
SCHEMBL20063881 0.80 KDM1A (0.38) KDM1AMAOBMAOANFKB1NFKB2
SCHEMBL20063892 0.80 KDM1A (0.38) KDM1AMAOBMAOANFKB1NFKB2
SCHEMBL20063891 0.79 KDM1A (0.37) KDM1AMAOBMAOANFKB1NFKB2

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-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-04-19 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-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 KDM1A 2873/4885MAOB 2113/4885MAOA 3140/4885

“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.