SCHEMBL3593722

SCHEMBL3593722

CC1(C)Cc2c(N)cccc2NC1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.38
PDK4 Q16654 1/20 0.38
PARP1 P09874 2/20 0.37
HTR5A P47898 4/20 0.35
CYP19A1 P11511 1/20 0.33
HTR1A P08908 1/20 0.33
HTR1D P28221 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR7 P34969 1/20 0.33
HTR3A P46098 1/20 0.33
CD44 P16070 2/20 0.32
RAD52 P43351 1/20 0.32
POLB P06746 3/20 0.32
BACE1 P56817 1/20 0.31
MEN1 O00255 1/20 0.31
RGS12 O14924 1/20 0.31
USP2 O75604 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL3593720 0.81 PDK2 (0.39) PDK2PDK4HTR1AHTR2APOLB
SCHEMBL25344545 0.79 CDK5 (0.39) PDK2PDK4POLBBRD4ALDH1A1
SCHEMBL31256555 0.79 CDK5 (0.39) PDK2PDK4POLBBRD4ALDH1A1
SCHEMBL3594743 0.75 DRD2 (0.34) PARP1HTR5ACYP19A1HTR1AHTR2A
SCHEMBL14977472 0.73 RAD52 (0.38) PARP1HTR5AHTR1AHTR1DHTR2A
SCHEMBL3593393 0.72 RXFP1 (0.36) PDK2PDK4PARP1HTR5ACYP19A1
SCHEMBL30100699 0.71 PDK2 (0.48) PDK2PDK4HTR5APOLBMEN1
SCHEMBL6220027 0.71 PDK2 (0.48) PDK2PDK4HTR5APOLBMEN1
SCHEMBL836954 0.71 AHR (0.48) PDK2PARP1HTR1AHTR2ACYP3A4
SCHEMBL3212830 0.69 NPC1 (0.50) PDK2PARP1HTR1ACD44MAPT

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 PDK2 3637/4885PDK4 3828/4885PARP1 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.