SCHEMBL3595403

SCHEMBL3595403

CC1(C)Nc2cccc(N)c2NC1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.36
RAD52 P43351 1/20 0.36
PARP1 P09874 3/20 0.36
PDK2 Q15119 4/20 0.35
PDK4 Q16654 3/20 0.35
PDK1 Q15118 1/20 0.33
PDK3 Q15120 1/20 0.33
CHEK1 O14757 1/20 0.33
AKR1B1 P15121 5/20 0.33
CD44 P16070 1/20 0.32
GAA P10253 1/20 0.32
CYP3A4 P08684 2/20 0.32
NOS2 P35228 1/20 0.32
MEN1 O00255 1/20 0.32
RGS12 O14924 1/20 0.32
USP2 O75604 1/20 0.32
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL3599302 0.86 BRD4 (0.45) BRD4RAD52PARP1PDK2PDK4
SCHEMBL3595402 0.80 BRD4 (0.37) BRD4RAD52PDK2PDK4PDK1
SCHEMBL30559940 0.80 AKR1B1 (0.43) BRD4RAD52PDK2PDK4PDK1
SCHEMBL21624172 0.80 AKR1B1 (0.43) BRD4RAD52PDK2PDK4PDK1
SCHEMBL12749338 0.76 MOGAT2 (0.38) BRD4RAD52PARP1PDK2PDK4
SCHEMBL21624198 0.75 ALOX5 (0.45) BRD4PARP1GAAMEN1MAPT
SCHEMBL30559945 0.75 CES1 (0.45) BRD4PARP1MEN1POLBKMT2A
SCHEMBL21624183 0.75 CES1 (0.45) BRD4PARP1MEN1POLBKMT2A
SCHEMBL30559951 0.75 ALOX5 (0.45) BRD4PARP1GAAMEN1MAPT
SCHEMBL10446170 0.73 RAD52 (0.55) RAD52CHEK1CD44GAACYP3A4

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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US disclosed
EP-2128157-A1 HETEROCYCLIDENE-N-(ARYL)ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2009-12-02 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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE CCNY, CCND3, NSD3 BRD4 706/4885RAD52 1823/4885PARP1 1468/4885

“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.